SCHEMBL878692

SCHEMBL878692

CCCCOc1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
HTR2A P28223 1/20 0.42
S1PR2 O95136 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
SCHEMBL9341108 0.93 THRA (0.53) FAAHL3MBTL1THRATHRBTDP1
SCHEMBL5961831 0.90 HTR2C (0.50) FAAHL3MBTL1CYP1A2CYP2C19THRA
SCHEMBL21388207 0.86 L3MBTL1 (0.48) FAAHL3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL9399572 0.85 S1PR1 (0.49) FAAHL3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL15223509 0.83 ESR1 (0.51) FAAHL3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL9399442 0.83 S1PR1 (0.51) L3MBTL1CYP1A2CYP2C19CYP2C9THRA
SCHEMBL8361632 0.83 MAPT (0.47) FAAHL3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL7528742 0.82 HTR1B (0.46) L3MBTL1TDP1MEN1ALDH1A1POLB
SCHEMBL7231237 0.82 L3MBTL1 (0.42) FAAHL3MBTL1TDP1MEN1ALDH1A1
SCHEMBL31702467 0.82 L3MBTL1 (0.42) FAAHL3MBTL1TDP1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023173717-A1 PREPARATION METHOD FOR INTERMEDIATE COMPOUND ACTING AS SYNTHETIC POSACONAZOLE, AND INTERMEDIATE COMPOUND PREPARED THEREBY 浙江奥翔药业股份有限公司 2023-09-21 WO disclosed
EP-3424911-B1 POSACONAZOLE, COMPOSITION, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND USES THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO LTD (CN) 2021-07-28 EP disclosed
EP-3424911-A1 POSACONAZOLE, COMPOSITION, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND USES THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2019-01-09 EP disclosed
EP-2758385-B1 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN LAB LTD (IN) 2018-03-28 EP disclosed
EP-2770977-B1 NOVEL DOSAGE FORM NEUROVIVE PHARMACEUTICAL AB (SE) 2017-07-12 EP disclosed
US-9504728-B2 Dosage form NEUROVIVE PHARMACEUTICAL AB (SE) 2016-11-29 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-9271977-B2 Sanglifehrin derivatives and methods for their production NEUROVIVE PHARMACEUTICAL AB (SE) 2016-03-01 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-9139613-B2 Macrocyclic compounds and methods for their production NEUROVIVE PHARMACEUTICAL AB (SE) 2015-09-22 US 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-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-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR 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
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
EP-0401167-B1 Process for the preparation of titanocenes with o,o'-difluoro ligands CIBA GEIGY AG (CH) 1994-06-08 EP disclosed
US-5075467-A Reacting organotitanium halide with lithium amide CIBA-GEIGY CORPORATION (US) 1991-12-24 US disclosed
EP-0401167-A2 Process for the preparation of titanocenes with o,o'-difluoro ligands CIBA-GEIGY AG (CH) 1990-12-05 EP 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 (5 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 FAAH 3042/4885L3MBTL1 2040/4885CYP1A2 4774/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 FAAH 2786/4885L3MBTL1 794/4885CYP1A2 4730/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 FAAH 2786/4885L3MBTL1 794/4885CYP1A2 4730/4885
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 FAAH 2786/4885L3MBTL1 794/4885CYP1A2 4730/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 FAAH 2786/4885L3MBTL1 794/4885CYP1A2 4730/4885

“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.