SCHEMBL3383006

SCHEMBL3383006

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.77
CTSK P43235 12/20 0.77
CTSB P07858 4/20 0.77
CTSL P07711 2/20 0.77
AKT1 P31749 1/20 0.67
ATM Q13315 1/20 0.62
ACE P12821 1/20 0.60
REN P00797 1/20 0.59

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
SCHEMBL21137542 0.93 CTSS (0.68) CTSSCTSKCTSBCTSLAKT1
SCHEMBL8815536 0.93 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL8815530 0.93 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL18766807 0.92 CTSS (0.67) CTSSCTSKCTSBCTSLAKT1
SCHEMBL18766806 0.92 CTSS (0.67) CTSSCTSKCTSBCTSLAKT1
SCHEMBL10040933 0.91 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL21010315 0.91 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2440946 0.91 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL23529664 0.90 CTSS (0.64) CTSSCTSKCTSBCTSLAKT1
SCHEMBL14485901 0.90 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11263783-A None JP disclosed
US-8268789-B2 PAR-2 antagonists KOWA COMPANY, LTD. (JP) 2012-09-18 US disclosed
US-8268789-B2 PAR-2 antagonists KOWA COMPANY, LTD. (JP) 2012-09-18 US disclosed
US-8268789-B2 PAR-2 antagonists KOWA COMPANY, LTD. (JP) 2012-09-18 US disclosed
EP-1806141-B1 PAR-2 ANTAGONISTS KOWA CO (JP) 2010-12-01 EP disclosed
EP-1806141-B1 PAR-2 ANTAGONISTS KOWA CO (JP) 2010-12-01 EP disclosed
US-20090012006-A1 Par-2 Antagonists KOWA COMPANY, LTD. (JP) 2009-01-08 US disclosed
US-20090012006-A1 Par-2 Antagonists KOWA COMPANY, LTD. (JP) 2009-01-08 US disclosed
US-20090012006-A1 Par-2 Antagonists KOWA COMPANY, LTD. (JP) 2009-01-08 US disclosed
EP-1806141-A1 PAR-2 ANTAGONISTS Kowa Company, Ltd. (JP) 2007-07-11 EP disclosed
JP-H11263783-A EPOXYSUCCINAMIC ACID DERIVATIVE TAISHO PHARMACEUT CO LTD 1999-09-28 JP disclosed
EP-0753003-B1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-16 EP disclosed
US-5668128-A INHIBITORS OF THIOL PROTEASE, PROPHYLAXIS AND TREATMENT OF BONE DISEASES, OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-16 US disclosed
EP-0753003-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-01-15 EP disclosed
WO-1995028416-A1 AZIRIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-26 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 (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-20090012006-A1 Par-2 Antagonists F2RL1, F2R, F2RL3 CTSS 308/4885CTSK 513/4885CTSB 261/4885

“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.