SCHEMBL7079463

SCHEMBL7079463

COC(=O)c1cc(C(F)(F)F)c(F)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.48
NOTUM Q6P988 3/20 0.46
SOS1 Q07889 1/20 0.42
KIF11 P52732 1/20 0.40
MAPT P10636 2/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3874597 0.88 CFTR (0.51) CFTRNOTUMSOS1KIF11MAPT
SCHEMBL1763845 0.85 CFTR (0.49) CFTRNOTUMSOS1KDRGAA
SCHEMBL27890 0.82 KDM4E (0.43) NOTUMMAPTPDGFRBFGFR1PDGFRA
SCHEMBL22833380 0.82 CFTR (0.66) CFTRNOTUMSOS1MAPTKDM4E
SCHEMBL27447768 0.82 CFTR (0.47) CFTRNOTUMSOS1MAPTKDR
SCHEMBL8539026 0.82 NOTUM (0.60) CFTRNOTUMSOS1MAPTPDGFRB
SCHEMBL7086639 0.82 GAA (0.47) CFTRNOTUMSOS1MAPTKDM4E
SCHEMBL7079991 0.81 RXRA (0.45) NOTUMKIF11
SCHEMBL20470613 0.80 PDGFRB (0.42) NOTUMMAPTPDGFRBFGFR1PDGFRA
SCHEMBL19491469 0.80 CFTR (0.48) CFTRNOTUMSOS1MAPTKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1184196-C Substituted benzoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them AVENTIS PHARMA GMBH (DE) 2005-01-12 CN disclosed
US-6617344-B2 Suitable as antiarrhythmic pharmaceuticals having a cardioprotective component for infarct prophylaxis and infarct treatment, and also for the treatment of angina pectoris. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-09 US disclosed
US-20030139607-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLGUANIDINES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTICS, AND MEDICAMENTS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH 2003-07-24 US disclosed
CN-1373757-A Heterocyclically substd, benzoylguanidine, method for production thereof, use thereof as medicament or means of diagnosis and medicaments contg. same AVENTIS PHARMA GMBH (DE) 2002-10-09 CN disclosed
US-20020099222-A1 Heterocyclically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics, and medicaments comprising them WEICHERT ANDREAS (DE) 2002-07-25 US disclosed
US-20010049446-A1 Heterocyclically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics, and medicaments comprising them WEICHERT ANDREAS (DE) 2001-12-06 US 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 (3 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-20020099222-A1 Heterocyclically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics, and medicaments comprising them TNNI3, HBG1, TNNT2 CFTR 3411/4885NOTUM 2951/4885SOS1 1877/4885
US-20010049446-A1 Heterocyclically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics, and medicaments comprising them TNNI3, HBG1, TNNT2 CFTR 3411/4885NOTUM 2951/4885SOS1 1877/4885
US-20030139607-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLGUANIDINES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTICS, AND MEDICAMENTS COMPRISING THEM TNNI3, HBG1, TNNT2 CFTR 3411/4885NOTUM 2951/4885SOS1 1877/4885

“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.