Sugi Predict

Sugi Predict / Compounds / SCHEMBL15327432

SCHEMBL15327432

SCHEMBL15327432

CC(C)(C)N1CCN(c2ccc(S(=O)(=O)[C@@H]3C[C@H](OC(=O)NC4(C#N)CC4)N(C(=O)C4(c5ccc(Cl)cc5)CC4)C3)c(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 13/20 0.56
▸ CTSS P25774 16/20 0.48
▸ CTSK P43235 4/20 0.48
▸ CTSB P07858 2/20 0.47

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
SCHEMBL15327496 0.93 CTSL (0.57) CTSLCTSSCTSKCTSB
SCHEMBL15327530 0.93 CTSS (0.48) CTSLCTSSCTSK
SCHEMBL15327468 0.93 CTSL (0.59) CTSLCTSSCTSKCTSB
SCHEMBL15327228 0.91 CTSL (0.56) CTSLCTSSCTSKCTSB
SCHEMBL695082 0.90 CTSL (0.70) CTSLCTSSCTSKCTSB
SCHEMBL15327591 0.88 CTSL (0.66) CTSLCTSSCTSKCTSB
SCHEMBL15327457 0.88 CTSS (0.61) CTSS
SCHEMBL15327531 0.86 CTSS (0.49) CTSLCTSSCTSK
SCHEMBL15327421 0.85 CTSL (0.65) CTSLCTSSCTSKCTSB
SCHEMBL15327480 0.85 CTSL (0.57) CTSLCTSSCTSK

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
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 — — EP claimed