SCHEMBL415984

SCHEMBL415984

CCCS(=O)(=O)Nc1cccc(C(=O)Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 1/20 0.48
AURKA O14965 1/20 0.47
KDR P35968 1/20 0.47
AURKB Q96GD4 1/20 0.47
BRD4 O60885 2/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 2/20 0.45
HTT P42858 1/20 0.44
MAP1LC3A Q9H492 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
CTPS1 P17812 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LRRK2 Q5S007 1/20 0.42
KIT P10721 1/20 0.42
GAK O14976 1/20 0.42

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
SCHEMBL4496533 0.92 MAP1LC3B (0.52) MAP1LC3BSMN1; SMN2ALDH1A1AURKAKDR
SCHEMBL1876467 0.87 ALDH1A1 (0.65) MAP1LC3BSMN1; SMN2ALDH1A1AURKAKDR
SCHEMBL411794 0.87 POLB (0.55) MAP1LC3BSMN1; SMN2ALDH1A1AURKAKDR
SCHEMBL27731400 0.82 POLB (0.52) MAP1LC3BSMN1; SMN2ALDH1A1AURKAKDR
SCHEMBL856142 0.82 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1POLBTP53LMNA
SCHEMBL9491593 0.81 HPGD (0.53) SMN1; SMN2AURKAKDRAURKBBRD4
SCHEMBL4509115 0.80 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1POLBTP53HTT
SCHEMBL27101334 0.79 BRAF (0.42) MAP1LC3BALDH1A1AURKAKDRAURKB
SCHEMBL27101331 0.79 AURKB (0.39) MAP1LC3BAURKAKDRAURKBBRD4
SCHEMBL28216263 0.78 HSD17B2 (0.51) MAP1LC3BSMN1; SMN2ALDH1A1AURKAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-10414764-B2 Substantially pure vemurafenib and its salts SHILPA MEDICARE LIMITED 2019-09-17 US disclosed
US-20180334457-A1 SUBSTANTIALLY PURE VEMURAFENIB AND ITS SALTS SHILPA MEDICARE LIMITED (IN) 2018-11-22 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20170320872-A1 SUBSTANTIALLY PURE VEMURAFENIB AND ITS SALTS SHILPA MEDICARE LIMITED (IN) 2017-11-09 US disclosed
EP-3223817-A1 SUBSTANTIALLY PURE VEMURAFENIB AND ITS SALTS Shilpa Medicare Limited (IN) 2017-10-04 EP disclosed
EP-3088400-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC. (US) 2016-11-02 EP disclosed
US-7863288-B2 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. (US) 2011-01-04 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 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-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
CN-101243084-A Pyrrolo [2, 3-B ] pyridine derivatives as protein kinase inhibitors PLEXXIKON INC (US) 2008-08-13 CN disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002433-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 (7 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 MAP1LC3B 2128/4885SMN1; SMN2 3233/4885ALDH1A1 3144/4885
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAPK7, MAPK14 MAP1LC3B 2587/4885SMN1; SMN2 4677/4885ALDH1A1 4181/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MAP1LC3B 1058/4885SMN1; SMN2 1839/4885ALDH1A1 4348/4885
US-20170320872-A1 SUBSTANTIALLY PURE VEMURAFENIB AND ITS SALTS BRAF, RAF1, NRAS MAP1LC3B 1539/4885SMN1; SMN2 1095/4885ALDH1A1 106/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MAP1LC3B 1058/4885SMN1; SMN2 1839/4885ALDH1A1 4348/4885
US-10414764-B2 Substantially pure vemurafenib and its salts BRAF, RAF1, NRAS MAP1LC3B 1539/4885SMN1; SMN2 1095/4885ALDH1A1 106/4885
US-20180334457-A1 SUBSTANTIALLY PURE VEMURAFENIB AND ITS SALTS BRAF, RAF1, NRAS MAP1LC3B 1539/4885SMN1; SMN2 1095/4885ALDH1A1 106/4885

“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.