SCHEMBL4452584

SCHEMBL4452584

COC(=O)C(=O)C(Cc1ccccc1)N1CCC[C@H]1C(=O)NC(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.50
ACE P12821 1/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.47
CMA1 P23946 11/20 0.45
MAPK1 P28482 1/20 0.42

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
SCHEMBL4455015 0.92 CMA1 (0.49) KLK5ACEKMT2AATMCMA1
SCHEMBL7352711 0.92 ACE (0.53) KLK5ACEKMT2ACMA1MAPK1
SCHEMBL7348146 0.90 MAPK1 (0.51) KLK5ACEKMT2ACMA1MAPK1
SCHEMBL7354562 0.84 KLK5 (0.51) KLK5ACEKMT2AATMCMA1
SCHEMBL7355589 0.84 ACE (0.46) KLK5ACEKMT2ACMA1
SCHEMBL7354574 0.83 MEN1 (0.47) KLK5ACEKMT2ACMA1
SCHEMBL7357094 0.83 SCN9A (0.46) KLK5ACEKMT2ACMA1MAPK1
SCHEMBL4452582 0.78 CMA1 (0.65) KLK5ACECMA1
SCHEMBL7347210 0.77 GAA (0.46) ACEATM
SCHEMBL7348914 0.76 CMA1 (0.49) KLK5ACEKMT2AATMCMA1

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 6 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
WO-2006102069-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2006-09-28 WO 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 KLK5 264/4885ACE 21/4885KMT2A 4655/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR KLK5 3668/4885ACE 1541/4885KMT2A 4822/4885

“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.