SCHEMBL15084064

SCHEMBL15084064

CC(C)S(=O)(=O)N1CCC(c2ccc(C[C@H](NC(=O)[C@@H]3[C@H](C)CC[C@H](C)N3C(=O)OC(C)(C)C)C(N)=O)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 3/20 0.42
▸ CACNA1B Q00975 3/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ HTRA1 Q92743 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CCKBR P32239 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ YAP1 P46937 2/20 0.33
▸ NAMPT P43490 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
SCHEMBL15083943 0.92 CTSC (0.41) CTSCCACNA1BMAPK1HTRA1KMT2A
SCHEMBL15084073 0.92 CTSC (0.41) CTSCCACNA1BMAPK1HTRA1KMT2A
SCHEMBL15084107 0.89 CACNA1B (0.39) CTSCCACNA1BMAPK1HTRA1KMT2A
SCHEMBL15083942 0.88 MAPK1 (0.44) CTSCCACNA1BMAPK1HTRA1KMT2A
SCHEMBL15084117 0.87 MAPK1 (0.40) CTSCCACNA1BMAPK1KMT2ACCKBR
SCHEMBL15083928 0.87 CACNA1B (0.39) CACNA1BMAPK1HTRA1KMT2ACCKBR
SCHEMBL15084065 0.87 CTSC (0.58) CTSC
SCHEMBL15081689 0.87 CTSC (0.45) CTSCCACNA1BMAPK1HTRA1KMT2A
SCHEMBL15084076 0.87 CTSC (0.41) CTSCCACNA1BMAPK1HTRA1KMT2A
SCHEMBL15084030 0.86 CTSC (0.41) CTSCCACNA1BMAPK1HTRA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172327-A1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL] -2-AZABICYCLO [2.2.1] HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 — — 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-20130172327-A1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL] -2-AZABICYCLO [2.2.1] HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C CTSS, CTSB, CTSG CTSC 9/4885CACNA1B 1227/4885MAPK1 3146/4885

“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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