SCHEMBL2314599

SCHEMBL2314599

CCC[C@@H](C(=O)O)n1c(=O)n(C(C)c2c[nH]c3cc(C)cc(C)c23)c2ccc(C#N)cc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 5/20 0.36
SLC6A3 Q01959 1/20 0.33
ALK Q9UM73 1/20 0.32
EGLN1 Q9GZT9 3/20 0.31
MDM2 Q00987 1/20 0.31
NR3C1 P04150 2/20 0.31
NR3C2 P08235 2/20 0.31
PGR P06401 1/20 0.31

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
SCHEMBL2314601 1.00 CMA1 (0.36) CMA1SLC6A3ALKEGLN1MDM2
SCHEMBL2310720 0.93 CMA1 (0.35) CMA1EGLN1NR3C1NR3C2PGR
SCHEMBL2310727 0.93 CMA1 (0.35) CMA1EGLN1NR3C1NR3C2PGR
SCHEMBL2313900 0.90 CMA1 (0.36) CMA1SLC6A3ALKMDM2
SCHEMBL2313894 0.90 CMA1 (0.36) CMA1SLC6A3ALKMDM2
SCHEMBL2314485 0.90 CMA1 (0.35) CMA1EGLN1
SCHEMBL2308199 0.90 CMA1 (0.35) CMA1EGLN1
SCHEMBL2315320 0.89 KDM4E (0.36) MDM2NR3C1NR3C2PGR
SCHEMBL2315326 0.89 KDM4E (0.36) MDM2NR3C1NR3C2PGR
SCHEMBL2309175 0.86 CMA1 (0.40) CMA1EGLN1

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 1/4885SLC6A3 4421/4885ALK 1338/4885

“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.