SCHEMBL3424499

SCHEMBL3424499

COC(=O)C1(NC(=O)c2ccc(Br)s2)CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.61
CTSB P07858 1/20 0.61
CTSS P25774 1/20 0.61
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PPARG P37231 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ESR1 P03372 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
POLB P06746 4/20 0.41
TDP1 Q9NUW8 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
SCHEMBL3428350 0.84 CTSL (0.62) CTSLCTSBCTSSALDH1A1HPGD
SCHEMBL1839660 0.83 CTSL (0.46) CTSLCTSBCTSSALDH1A1HPGD
SCHEMBL5502029 0.78 CTSL (0.50) CTSLCTSBCTSSALDH1A1HPGD
SCHEMBL5497837 0.75 CTSL (0.49) CTSLCTSBCTSSALDH1A1HPGD
SCHEMBL22869491 0.74 MEN1 (0.46) CTSLCTSBCTSSALDH1A1USP2
SCHEMBL13753379 0.71 ALDH1A1 (0.63) ALDH1A1HPGDUSP2MAPK1HSD17B10
SCHEMBL2569569 0.70 HTT (0.48) CTSLCTSBCTSSALDH1A1HPGD
SCHEMBL15880952 0.70 HPGD (0.40) CTSLCTSBCTSSALDH1A1HPGD
SCHEMBL3027840 0.69 KMT2A (0.44) ALDH1A1HPGDMAPK1NPSR1KDM4E
SCHEMBL1841810 0.69 HDAC1 (0.45) CTSLCTSBCTSSALDH1A1HPGD

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 5 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
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 CTSL 1657/4885CTSB 2371/4885CTSS 1724/4885
US-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC CTSL 4233/4885CTSB 4029/4885CTSS 3845/4885
US-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 CTSL 1657/4885CTSB 2371/4885CTSS 1724/4885

“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.