SCHEMBL3152909

SCHEMBL3152909

COc1cccc(CC(Br)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.51
CTSK P43235 4/20 0.49
CTSS P25774 3/20 0.47
CTSB P07858 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
CTSL P07711 1/20 0.45
ATM Q13315 1/20 0.44
ACE P12821 1/20 0.44
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KLK5 Q9Y337 1/20 0.43

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
SCHEMBL31407583 0.86 CACNA1B (0.52) CACNA1BCTSKCTSSCTSBTAAR1
SCHEMBL30916035 0.84 ATM (0.52) CACNA1BCTSKCTSSCTSBTAAR1
SCHEMBL3821386 0.84 ACE (0.63) CACNA1BCTSKCTSSCTSBCTSL
SCHEMBL30547272 0.84 KLK5 (0.58) CACNA1BCTSKCTSSCTSBTAAR1
SCHEMBL31407807 0.84 ACE (0.63) CACNA1BCTSKCTSSCTSBCTSL
SCHEMBL4729306 0.84 KLK5 (0.58) CACNA1BCTSKCTSSCTSBTAAR1
SCHEMBL3554901 0.84 ACE (0.63) CACNA1BCTSKCTSSCTSBCTSL
SCHEMBL3554904 0.84 ACE (0.63) CACNA1BCTSKCTSSCTSBCTSL
SCHEMBL31539528 0.84 KLK5 (0.58) CACNA1BCTSKCTSSCTSBTAAR1
SCHEMBL19696789 0.84 CACNA1B (0.57) CACNA1BCTSKCTSSCTSBTAAR1

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
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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 (2 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 CACNA1B 2579/4885CTSK 3896/4885CTSS 3581/4885
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 CACNA1B 2579/4885CTSK 3896/4885CTSS 3581/4885

“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.