SCHEMBL3699071

SCHEMBL3699071

Cc1cccc2[nH]cc([C@H](C)n3c(=O)n(CCC(=O)O)c(=O)c4ccccc43)c12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 12/20 0.45
▸ CTSG P08311 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPT P10636 2/20 0.40
▸ FABP3 P05413 1/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ FABP5 Q01469 1/20 0.39

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
SCHEMBL3699074 1.00 CMA1 (0.45) CMA1CTSGKDM4EALDH1A1HPGD
SCHEMBL13822648 0.94 FABP4 (0.42) CMA1CTSGKDM4EALDH1A1HPGD
SCHEMBL3689406 0.89 PGR (0.38) —
SCHEMBL3686182 0.85 CMA1 (0.38) CMA1CTSG
SCHEMBL3687513 0.84 CMA1 (0.38) CMA1CTSGKDM4EMAPT
SCHEMBL3701617 0.83 GAA (0.42) KDM4EALDH1A1
SCHEMBL3683080 0.83 CMA1 (0.35) CMA1KDM4EALDH1A1HPGDMAPT
SCHEMBL3695212 0.83 CMA1 (0.35) CMA1KDM4EALDH1A1HPGDMAPT
SCHEMBL3683076 0.83 CMA1 (0.35) CMA1KDM4EALDH1A1HPGDMAPT
SCHEMBL3690021 0.82 CMA1 (0.49) CMA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377949-B2 Quinazolinedione chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-19 — — US disclosed
US-20120122863-A1 Quinazolinedione Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 — — 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-20120122863-A1 Quinazolinedione Chymase Inhibitors CMA1, CTSC, TPSG1 CMA1 1/4885CTSG 22/4885KDM4E 3324/4885

“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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