SCHEMBL7079991

SCHEMBL7079991

Cc1cc(F)c(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
SORT1 Q99523 3/20 0.43
NOTUM Q6P988 4/20 0.43
KIF11 P52732 1/20 0.42
TAS2R14 Q9NYV8 3/20 0.42
ASPH Q12797 1/20 0.42
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
TTR P02766 1/20 0.38
AR P10275 1/20 0.37
KMO O15229 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 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
SCHEMBL3871135 0.84 ASPH (0.47) SORT1NOTUMKIF11TAS2R14ASPH
SCHEMBL7079463 0.81 CFTR (0.48) NOTUMKIF11
SCHEMBL27887 0.80 KEAP1 (0.45) RXRARXRBNOTUMASPHTTR
SCHEMBL12725573 0.79 ASPH (0.46) NOTUMKIF11TAS2R14ASPHAR
SCHEMBL12931050 0.78 KDM4E (0.44) RXRARXRBNOTUMASPHTTR
SCHEMBL27523055 0.78 KDM4E (0.44) RXRARXRBNOTUMASPHTTR
SCHEMBL30532289 0.78 TAS2R14 (0.46) RXRARXRBSORT1NOTUMKIF11
SCHEMBL28570642 0.78 TAS2R14 (0.46) RXRARXRBSORT1NOTUMKIF11
SCHEMBL21664323 0.78 KDM4E (0.51) NOTUMKIF11ASPHKMO
SCHEMBL7083108 0.77 SLC9A1 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1226124-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLGUANIDINE, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS A MEDICAMENT OR MEANS OF DIAGNOSIS AND A MEDICAMENT CONTAINING THE SAME Aventis Pharma Deutschland GmbH (DE) 2002-07-31 EP 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
WO-2001030761-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLGUANIDINE, METHOD FOR THE PRODUCTION THEREOF, THE USE THEREOF AS A MEDICAMENT OR MEANS OF DIAGNOSIS AND A MEDICAMENT CONTAINING THE SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-03 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 (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 RXRA 2876/4885RXRB 3021/4885SORT1 4174/4885
US-20010049446-A1 Heterocyclically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics, and medicaments comprising them TNNI3, HBG1, TNNT2 RXRA 2876/4885RXRB 3021/4885SORT1 4174/4885
US-20030139607-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLGUANIDINES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTICS, AND MEDICAMENTS COMPRISING THEM TNNI3, HBG1, TNNT2 RXRA 2876/4885RXRB 3021/4885SORT1 4174/4885

“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.