SCHEMBL2314717

SCHEMBL2314717

CCC[C@@H](CC(=O)OCC)n1c(=O)n(Cc2csc3cccc(C)c23)c2ccc(C)cc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 16/20 0.49
▸ CTSG P08311 4/20 0.49
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL2314721 1.00 CMA1 (0.49) CMA1CTSGMEN1KMT2AALDH1A1
SCHEMBL2312961 0.92 CMA1 (0.56) CMA1CTSGMEN1KMT2AALDH1A1
SCHEMBL2808906 0.91 CMA1 (0.49) CMA1CTSGMEN1KMT2AALDH1A1
SCHEMBL2808902 0.91 CMA1 (0.49) CMA1CTSGMEN1KMT2AALDH1A1
SCHEMBL2311861 0.91 CMA1 (0.55) CMA1CTSG
SCHEMBL2312683 0.84 CMA1 (0.58) CMA1CTSG
SCHEMBL2309949 0.82 CMA1 (0.55) CMA1CTSGMEN1KMT2A
SCHEMBL2311012 0.82 CMA1 (0.55) CMA1CTSG
SCHEMBL2310378 0.82 CMA1 (0.55) CMA1CTSG
SCHEMBL2311393 0.82 CMA1 (0.52) CMA1CTSGMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150556-B2 Benzimidazolone chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 — — US disclosed
EP-2152674-B1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 — — EP disclosed
US-20100240702-A1 Benzimidazolone Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US 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-20100240702-A1 Benzimidazolone Chymase Inhibitors CMA1, SERPINB1, CPA3 CMA1 1/4885CTSG 26/4885MEN1 1035/4885

“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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