SCHEMBL4135954

SCHEMBL4135954

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CCNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
TRPV4 Q9HBA0 6/20 0.42
CAPN1 P07384 1/20 0.41
AAK1 Q2M2I8 2/20 0.41
EGFR P00533 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
REN P00797 2/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.38
MAP1LC3A Q9H492 1/20 0.38

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
SCHEMBL5430581 0.92 CTSL (0.45) CTSLCTSBCTSSCTSKTRPV4
SCHEMBL4139657 0.88 CAPN1 (0.51) CTSLCTSBCTSSCTSKTRPV4
SCHEMBL4135552 0.85 CAPN1 (0.42) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL4135643 0.82 TRPV4 (0.47) TRPV4
SCHEMBL4131127 0.81 RAB9A (0.39) CTSLTRPV4ALDH1A1MAPT
SCHEMBL13872499 0.79 AAK1 (0.46) CTSLTRPV4AAK1KDM4EALDH1A1
SCHEMBL14360833 0.79 IDO1 (0.44) TRPV4KDM4EALDH1A1GAAMAPT
SCHEMBL4135639 0.78 TRPV4 (0.45) TRPV4
SCHEMBL13872494 0.75 AAK1 (0.43) TRPV4AAK1KDM4EALDH1A1GAA
SCHEMBL13994326 0.74 TRPV4 (0.50) TRPV4ALDH1A1MAPT

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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 CTSL 3815/4885CTSB 3636/4885CTSS 3772/4885

“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.