SCHEMBL856209

SCHEMBL856209

CCCS(=O)(=O)Nc1ccc(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KIT P10721 2/20 0.53
PSIP1 O75475 1/20 0.49
MAP2K4 P45985 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 1/20 0.46
BRAF P15056 5/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
PKM P14618 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12407091 0.85 CYP3A4 (0.56) CYP3A4CYP2C9CYP2C19KITPSIP1
SCHEMBL20840389 0.84 CYP3A4 (0.55) CYP3A4CYP2C9CYP2C19KITPSIP1
SCHEMBL287786 0.84 KMT2A (0.59) CYP3A4CYP2C9CYP2C19KITBRAF
SCHEMBL7876952 0.81 BRAF (0.45) CYP3A4CYP2C9CYP2C19KITPSIP1
SCHEMBL12459797 0.79 PSIP1 (0.77) CYP3A4CYP2C9CYP2C19KITPSIP1
SCHEMBL10626704 0.77 PTGS2 (0.56) KITTHRBLMNAKMT2ATSHR
SCHEMBL9321851 0.77 KMT2A (0.55) CYP2C19THRBLMNAKMT2ACA12
SCHEMBL9651520 0.76 KMT2A (0.51) CYP3A4CYP2C19THRBLMNAKMT2A
SCHEMBL6852162 0.76 ATM (0.45) CYP3A4CYP2C9CYP2C19KITMAP2K4
SCHEMBL24570795 0.75 CYP2C19 (0.68) CYP3A4CYP2C9CYP2C19KITMAP2K4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000994-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES YALE UNIVERSITY 2023-01-05 US disclosed
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-18 US disclosed
US-11173211-B2 Compounds and methods for the targeted degradation of rapidly accelerated Fibrosarcoma polypeptides ARVINAS OPERATIONS, INC. (US) 2021-11-16 US disclosed
US-20210346358-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-11-11 US disclosed
CN-109970733-B Simple preparation method of vemurafenib and analogue thereof 新发药业有限公司 2020-05-08 CN disclosed
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-10-01 US disclosed
US-10414764-B2 Substantially pure vemurafenib and its salts SHILPA MEDICARE LIMITED 2019-09-17 US disclosed
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-07-11 US disclosed
US-20190175567-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2019-06-13 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2010-07-29 US disclosed
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2010-07-29 US disclosed
WO-2009012283-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2009-01-22 WO disclosed
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 US disclosed
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 US disclosed
WO-2008079909-A1 PYRROLO [2,3-B] PYRIDINES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 CYP3A4 4851/4885CYP2C9 4869/4885CYP2C19 4868/4885
US-20210346358-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885CYP2C9 4746/4885CYP2C19 4579/4885
US-11173211-B2 Compounds and methods for the targeted degradation of rapidly accelerated Fibrosarcoma polypeptides CRBN, ARAF, VHL CYP3A4 4716/4885CYP2C9 4808/4885CYP2C19 4850/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885CYP2C9 4746/4885CYP2C19 4579/4885
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885CYP2C9 4746/4885CYP2C19 4579/4885
US-20210353602-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885CYP2C9 4746/4885CYP2C19 4579/4885
US-20230000994-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL CYP3A4 4716/4885CYP2C9 4808/4885CYP2C19 4850/4885
US-20100190777-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K11, MAP3K10 CYP3A4 3607/4885CYP2C9 3648/4885CYP2C19 3521/4885
US-10426760-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885CYP2C9 4746/4885CYP2C19 4579/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885CYP2C9 4746/4885CYP2C19 4579/4885
US-20190209536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885CYP2C9 4746/4885CYP2C19 4579/4885
US-20190175567-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP3A4 4658/4885CYP2C9 4746/4885CYP2C19 4579/4885
US-10414764-B2 Substantially pure vemurafenib and its salts BRAF, RAF1, NRAS CYP3A4 701/4885CYP2C9 233/4885CYP2C19 393/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.