SCHEMBL2480987

SCHEMBL2480987

COC(=O)Cc1ccc(C#N)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GFER P55789 1/20 0.48
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA1D P25100 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
HSP90AB1 P08238 1/20 0.44
AR P10275 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
TRPV4 Q9HBA0 1/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL30154441 0.88 GAA (0.48) GAAALDH1A1GFERMAPTKDM4E
SCHEMBL23832277 0.88 GAA (0.48) GAAALDH1A1GFERMAPTKDM4E
SCHEMBL30154437 0.85 MAPT (0.45) ALDH1A1MAPTKDM4ECYP1A2CYP2C9
SCHEMBL23832225 0.85 MAPT (0.45) ALDH1A1MAPTKDM4ECYP1A2CYP2C9
SCHEMBL30154456 0.83 GAA (0.49) GAAALDH1A1GFERMAPTKDM4E
SCHEMBL20943369 0.83 GAA (0.49) GAAALDH1A1GFERMAPTKDM4E
SCHEMBL13172498 0.83 ADRA1D (0.45) GAAALDH1A1ADRA1DARMRGPRX4
SCHEMBL24172239 0.82 ALDH1A1 (0.48) GAAALDH1A1GFERMAPTKDM4E
SCHEMBL5360300 0.82 GAA (0.48) GAAALDH1A1GFERMAPTKDM4E
SCHEMBL5739424 0.82 ALDH1A1 (0.55) GAAALDH1A1GFERMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 US disclosed
US-8937092-B2 Aryl or N-heteroaryl substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-01-20 US disclosed
US-8937092-B2 Aryl or N-heteroaryl substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-01-20 US disclosed
US-8937092-B2 Aryl or N-heteroaryl substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-01-20 US disclosed
EP-2760835-A1 ARYL OR N-HETEROARYL SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-08-06 EP disclosed
EP-2760836-A1 AMINE SUBSTITUTED METHANESULFONAMIDE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-08-06 EP disclosed
US-8765733-B2 Amine substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2014-07-01 US disclosed
US-8765733-B2 Amine substituted methanesulfonamide derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2014-07-01 US disclosed
US-20050215550-A1 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-09-29 US disclosed
US-6875789-B2 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-04-05 US disclosed
US-20040209935-A1 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-10-21 US disclosed
US-6750239-B2 USEFUL FOR TREATING DISEASE STATES IN MAMMALS THAT ARE ALLEVIATED BY A PROTEIN KINASE INHIBITOR, PARTICULARLY DISEASES SUCH AS CANCER, INFLAMMATORY DISORDERS, RESTENOSIS, AND CARDIOVASCULAR DISEASE VERTEX PHARMACEUTICALS INCORPORATED 2004-06-15 US disclosed
EP-1423382-A2 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2004-06-02 EP disclosed
EP-1423380-A1 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2004-06-02 EP disclosed
US-20030144337-A1 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-07-31 US disclosed
US-20030139452-A1 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-07-24 US disclosed
WO-2003011854-A1 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-02-13 WO disclosed
WO-2003011855-A2 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-02-13 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 (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-20040209935-A1 Pyrazole-derived kinase inhibitors and uses thereof RAF1, MAP3K1, MAP3K3 GAA 4212/4885ALDH1A1 2903/4885GFER 3779/4885
US-20050215550-A1 Pyrazole-derived kinase inhibitors and uses thereof MAP3K19, MAP3K1, MAP3K3 GAA 4333/4885ALDH1A1 3683/4885GFER 3298/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 GAA 2263/4885ALDH1A1 2943/4885GFER 1189/4885
US-20030139452-A1 Pyrazole-derived kinase inhibitors and uses thereof RAF1, MAP3K1, MAP3K3 GAA 4127/4885ALDH1A1 3191/4885GFER 3940/4885
US-20030144337-A1 Pyrazole-derived kinase inhibitors and uses thereof RAF1, MAP3K1, MAP3K3 GAA 4212/4885ALDH1A1 2903/4885GFER 3779/4885

“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.