SCHEMBL1851788

SCHEMBL1851788

CCCC(C(=O)O)n1nc(Cc2cc(Br)cc3[nH]c(=O)sc23)c2ccccc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 9/20 0.64
▸ POLB P06746 1/20 0.38
▸ AKR1B1 P15121 3/20 0.35
▸ FPR1 P21462 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ S1PR2 O95136 1/20 0.34
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL1851006 0.83 CMA1 (0.60) CMA1POLBAKR1B1FPR1KDM4E
SCHEMBL1851911 0.78 CMA1 (0.60) CMA1POLBKDM4E
SCHEMBL1851671 0.78 CMA1 (1.00) CMA1POLBKDM4EALOX15
SCHEMBL18900947 0.77 CMA1 (0.58) CMA1POLBAKR1B1FPR1KDM4E
SCHEMBL7960524 0.74 CMA1 (1.00) CMA1POLBKDM4E
SCHEMBL6115243 0.72 CMA1 (0.70) CMA1POLBAKR1B1KDM4E
SCHEMBL7951279 0.70 CMA1 (1.00) CMA1
SCHEMBL2315425 0.69 CMA1 (1.00) CMA1
SCHEMBL6115536 0.69 CMA1 (0.65) CMA1POLBAKR1B1KDM4E
SCHEMBL1850267 0.68 CMA1 (0.61) CMA1POLBAKR1B1FPR1KDM4E

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 11 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
EP-2323991-A2 CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-05-25 — — EP disclosed
WO-2010019417-A2 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 — — WO 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 2228/4885AKR1B1 1589/4885

“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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