SCHEMBL3427641

SCHEMBL3427641

CC(C)(C)OC(=O)C(C)(C)NC(=O)c1ccc(Br)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.49
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ESR1 P03372 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
KMT2A Q03164 8/20 0.42
MEN1 O00255 6/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
DAO P14920 1/20 0.42
PPARG P37231 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
POLB P06746 2/20 0.42
F10 P00742 1/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 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
SCHEMBL29032337 0.88 AR (0.51) ARNPSR1GAARXFP1KDM4E
SCHEMBL3423151 0.81 AR (0.53) ARNPSR1GAARXFP1KDM4E
SCHEMBL3233151 0.79 NPSR1 (0.54) ARNPSR1GAARXFP1KDM4E
SCHEMBL5043396 0.76 CES2 (0.53) NPSR1GAARXFP1KDM4EESR1
SCHEMBL24414750 0.73 AR (0.67) ARNPSR1GAARXFP1KMT2A
SCHEMBL10918390 0.73 CES2 (0.60) NPSR1GAARXFP1KDM4EESR1
SCHEMBL4909498 0.73 GAA (0.47) ARNPSR1GAARXFP1KDM4E
SCHEMBL5224142 0.72 POLB (0.60) NPSR1RXFP1KDM4EKMT2AMEN1
SCHEMBL28477418 0.72 GAA (0.67) NPSR1GAARXFP1KDM4EESR1
SCHEMBL3848242 0.70 GAA (0.59) NPSR1GAARXFP1KDM4EESR1

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
US-7732466-B2 Substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-08 US disclosed
US-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
CN-101014591-A Novel substituted thiophenecarboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2007-08-08 CN disclosed
US-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-28 US disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 US disclosed
US-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 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-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 AR 3491/4885NPSR1 1240/4885GAA 2189/4885
US-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC AR 2088/4885NPSR1 2013/4885GAA 3096/4885
US-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 AR 3491/4885NPSR1 1240/4885GAA 2189/4885

“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.