SCHEMBL6115536

SCHEMBL6115536

CCCC(C(=O)O)n1nc(Cc2nsc3cccc(C)c23)c2ccccc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 10/20 0.65
▸ POLB P06746 2/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ AKR1B1 P15121 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PRNP P04156 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL6115852 0.90 CMA1 (0.58) CMA1POLB
SCHEMBL6115243 0.85 CMA1 (0.70) CMA1POLBRXFP1MAPTTP53
SCHEMBL7951279 0.79 CMA1 (1.00) CMA1
SCHEMBL1851671 0.76 CMA1 (1.00) CMA1POLBKDM4E
SCHEMBL7960524 0.72 CMA1 (1.00) CMA1POLBKDM4E
SCHEMBL18900846 0.71 CMA1 (0.55) CMA1POLBMAPTAKR1B1KDM4E
SCHEMBL7960485 0.70 CMA1 (0.84) CMA1MAPT
SCHEMBL1850267 0.69 CMA1 (0.61) CMA1POLBAKR1B1KDM4E
SCHEMBL1851788 0.69 CMA1 (0.64) CMA1POLBAKR1B1KDM4E
SCHEMBL1849731 0.68 CMA1 (0.79) CMA1POLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323991-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-31 — — EP disclosed
EP-2323991-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-31 — — EP disclosed
US-8969348-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-03 — — US disclosed
US-8969348-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-03 — — US disclosed
US-8969348-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-03 — — US disclosed
US-20120129863-A1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 — — US disclosed
US-20120129863-A1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 — — US disclosed
US-20120129863-A1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 — — US disclosed
WO-2010019417-A2 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 — — 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-20120129863-A1 CHYMASE INHIBITORS CMA1, CPA3, SERPINB1 CMA1 1/4885POLB 2228/4885RXFP1 4101/4885

“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.

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