SCHEMBL4455015

SCHEMBL4455015

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ATM Q13315 1/20 0.48
KLK5 Q9Y337 1/20 0.47
ACE P12821 1/20 0.46
CTRC Q99895 2/20 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
SCHEMBL4452584 0.92 KLK5 (0.50) CMA1KMT2AATMKLK5ACE
SCHEMBL7352711 0.90 ACE (0.53) CMA1KMT2AKLK5ACE
SCHEMBL7348146 0.89 MAPK1 (0.51) CMA1KMT2AKLK5ACE
SCHEMBL7348914 0.85 CMA1 (0.49) CMA1KMT2AMEN1ATMKLK5
SCHEMBL7355589 0.83 ACE (0.46) CMA1KMT2AKLK5ACE
SCHEMBL7354574 0.82 MEN1 (0.47) CMA1KMT2AMEN1KLK5ACE
SCHEMBL7357094 0.82 SCN9A (0.46) CMA1KMT2AKLK5ACE
SCHEMBL7350216 0.80 KMT2A (0.39) CMA1KMT2AMEN1ATMKLK5
SCHEMBL4455011 0.78 CMA1 (0.73) CMA1KMT2AACECTRC
Hydrochloric Acid SCHEMBL4447405 0.77 KMT2A (0.43) CMA1KMT2AMEN1

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 4 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

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 1/4885KMT2A 4655/4885MEN1 3448/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR CMA1 313/4885KMT2A 4822/4885MEN1 2879/4885

“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.