SCHEMBL2312014

SCHEMBL2312014

CC(C)(C)OC(=O)c1ccc2c(c1)n(CCC(=O)O)c(=O)n2Cc1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 18/20 0.67
CTSG P08311 6/20 0.52
SLC12A2 P55011 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC12A5 Q9H2X9 1/20 0.40

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
SCHEMBL2318188 0.90 CMA1 (0.71) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL8119222 0.89 CMA1 (0.52) CMA1CTSGKMT2A
SCHEMBL2312625 0.82 CMA1 (1.00) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL8113055 0.80 CMA1 (0.79) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL8105798 0.80 CMA1 (0.79) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL2311834 0.80 CMA1 (0.67) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL2309320 0.80 CMA1 (0.67) CMA1CTSGSLC12A2KMT2ASLC12A5
SCHEMBL2809708 0.79 CMA1 (0.61) CMA1CTSG
SCHEMBL2310106 0.79 CMA1 (0.63) CMA1CTSG
SCHEMBL8119208 0.79 CMA1 (0.60) CMA1CTSGKMT2A

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 7 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
US-9150556-B2 Benzimidazolone chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
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
US-20100240702-A1 Benzimidazolone Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US 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 26/4885SLC12A2 4331/4885

“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.