SCHEMBL3429311

SCHEMBL3429311

CC(C)(C)OC(=O)N[C@H](Cc1cn(Cc2ccccc2)cn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.56
TRHDE Q9UKU6 1/20 0.51
PPARA Q07869 5/20 0.49
PPARG P37231 4/20 0.49
PPARD Q03181 2/20 0.47
CTSS P25774 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
PTPN1 P18031 2/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CPB2 Q96IY4 3/20 0.46
MAPK1 P28482 1/20 0.46
AKT1 P31749 1/20 0.45

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
SCHEMBL17642069 1.00 ACE (0.56) ACETRHDEPPARAPPARGPPARD
SCHEMBL19508750 0.92 KLK5 (0.51) ACETRHDEPPARAPPARGCTSS
SCHEMBL5358340 0.90 MAPT (0.46) ACETRHDEPPARAPPARGCTSS
SCHEMBL6324267 0.90 ACE (0.52) ACEPPARAPPARGPPARDCTSS
SCHEMBL755381 0.89 TRHDE (0.54) ACETRHDECPB2
SCHEMBL29401545 0.88 PPARA (0.56) ACEPPARAPPARGCTSSCTSL
SCHEMBL29401820 0.88 PPARA (0.56) ACEPPARAPPARGCTSSCTSL
SCHEMBL30064788 0.87 CTSS (0.47) ACETRHDECTSSCTSLCTSB
SCHEMBL8121406 0.85 CTSS (0.52) CTSSCTSLCTSBCTSKAKT1
SCHEMBL8121405 0.85 CTSS (0.52) CTSSCTSLCTSBCTSKAKT1

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 2 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ACE 1072/4885TRHDE 1580/4885PPARA 1026/4885

“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.