Sugi Predict

Sugi Predict / Compounds / SCHEMBL16064932

SCHEMBL16064932

SCHEMBL16064932

CC(C)(C)OC(=O)N1C[C@H](OCCBr)C[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.47
▸ KLK7 P49862 1/20 0.42
▸ FKBP1A P62942 3/20 0.41
▸ MCL1 Q07820 6/20 0.41
▸ UCHL1 P09936 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ HPGD P15428 1/20 0.37

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
SCHEMBL7703700 0.91 ABCB1 (0.54) ABCB1KLK7FKBP1AMCL1UCHL1
SCHEMBL7279798 0.91 ABCB1 (0.54) ABCB1KLK7FKBP1AMCL1UCHL1
SCHEMBL21273903 0.91 ABCB1 (0.54) ABCB1KLK7FKBP1AMCL1UCHL1
SCHEMBL1448111 0.91 ABCB1 (0.54) ABCB1KLK7FKBP1AMCL1UCHL1
SCHEMBL16064976 0.90 KLK7 (0.49) ABCB1KLK7FKBP1ACTSL
SCHEMBL15417732 0.89 ABCB1 (0.48) ABCB1KLK7FKBP1AMCL1UCHL1
SCHEMBL30289424 0.85 ABCB1 (0.46) ABCB1KLK7FKBP1AMCL1UCHL1
SCHEMBL30289352 0.85 ABCB1 (0.46) ABCB1KLK7FKBP1AMCL1UCHL1
SCHEMBL30289052 0.85 ABCB1 (0.46) ABCB1KLK7FKBP1AMCL1UCHL1
SCHEMBL23491959 0.85 MCL1 (0.51) ABCB1FKBP1AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970230-B1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2019-05-22 — — EP disclosed
US-8889708-B2 Substituted bicyclic 1-carboxylic-acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 — — US disclosed
US-8889708-B2 Substituted bicyclic 1-carboxylic-acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 — — US disclosed
WO-2014140081-A1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 — — WO disclosed
US-20140275155-A1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 — — US disclosed
US-20140275155-A1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 — — 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-20140275155-A1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CPN1, CPA1 ABCB1 958/4885KLK7 1635/4885FKBP1A 1286/4885

“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.