SCHEMBL4136256

SCHEMBL4136256

COC[C@@H](CN(CCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NC(C)C)NC(=O)Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.39
GSTO1 P78417 1/20 0.36
CCKBR P32239 2/20 0.36
FABP4 P15090 1/20 0.35
GAA P10253 1/20 0.35
ITGA1 P56199 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGES O14684 2/20 0.34
BDKRB1 P46663 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HPGD P15428 1/20 0.34
NLRP1 Q9C000 1/20 0.34

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
SCHEMBL4136390 0.92 MAPK1 (0.40) TRPV4CCKBRFABP4GAAITGA1
SCHEMBL4140598 0.92 MAPK1 (0.40) TRPV4CCKBRFABP4GAAITGA1
SCHEMBL4135071 0.89 TRPV4 (0.39) TRPV4GSTO1FABP4GAAITGA1
SCHEMBL4129723 0.89 TRPV4 (0.39) TRPV4GSTO1FABP4GAAITGA1
SCHEMBL4129734 0.89 TRPV4 (0.39) TRPV4GSTO1FABP4GAAITGA1
SCHEMBL4143372 0.87 MAPK1 (0.41) TRPV4CCKBRFABP4GAAITGA1
SCHEMBL4143367 0.87 MAPK1 (0.41) TRPV4CCKBRFABP4GAAITGA1
SCHEMBL13872707 0.85 MAPK1 (0.40) TRPV4GSTO1CCKBRFABP4GAA
SCHEMBL4142783 0.84 MAPK1 (0.42) TRPV4CCKBRFABP4GAAITGA1
SCHEMBL4142787 0.84 MAPK1 (0.42) TRPV4CCKBRFABP4GAAITGA1

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 5 patents. 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 claimed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO 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 TRPV4 1/4885GSTO1 4156/4885CCKBR 551/4885

“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.