SCHEMBL4452582

SCHEMBL4452582

COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 17/20 0.65
ACE P12821 1/20 0.57
KLK5 Q9Y337 1/20 0.56
CTRC Q99895 3/20 0.55
F2 P00734 1/20 0.55
PRSS1 P07477 1/20 0.55

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
SCHEMBL7352708 0.94 F2 (0.61) CMA1ACEKLK5CTRCF2
SCHEMBL4455011 0.92 CMA1 (0.73) CMA1ACECTRC
SCHEMBL7348141 0.92 MAPK1 (0.61) CMA1ACECTRCF2PRSS1
SCHEMBL9699092 0.91 CMA1 (0.67) CMA1ACEKLK5CTRCF2
SCHEMBL9699084 0.91 CMA1 (0.67) CMA1ACEKLK5CTRCF2
SCHEMBL9699161 0.88 CMA1 (0.65) CMA1ACECTRCF2PRSS1
SCHEMBL9699165 0.88 CMA1 (0.65) CMA1ACECTRCF2PRSS1
SCHEMBL7355585 0.86 F2 (0.54) CMA1ACEKLK5CTRCF2
SCHEMBL7357085 0.85 F2 (0.53) CMA1ACEKLK5CTRCF2
SCHEMBL7354571 0.85 ACE (0.51) CMA1ACEKLK5F2PRSS1

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-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders MICROBIA, INC. (US) 2009-02-26 US disclosed
US-20040086537-A1 Prophylactic or threapeutic composition for ocular circulation disorders INOUE JUN (JP) 2004-05-06 US disclosed
EP-1224945-A1 TENSION-RELIEVING AGENTS FOR CILIARY MUSCLE Senju Pharmaceutical Co., Ltd. (JP) 2002-07-24 EP disclosed
EP-1112749-A2 PREVENTIVES OR REMEDIES FOR EYE CIRCULATORY FAILURE Senju Pharmaceutical Co., Ltd. (JP) 2001-07-04 EP disclosed
WO-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 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 (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-20040086537-A1 Prophylactic or threapeutic composition for ocular circulation disorders CMA1, THOP1, TPSAB1 CMA1 1/4885ACE 21/4885KLK5 264/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR CMA1 313/4885ACE 1541/4885KLK5 3668/4885

“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.