SCHEMBL4131048

SCHEMBL4131048

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
TRPV4 Q9HBA0 3/20 0.36
FABP4 P15090 1/20 0.35
CCKBR P32239 2/20 0.35
ITGA1 P56199 2/20 0.35
GAA P10253 1/20 0.35
IDH1 O75874 3/20 0.35
PSMB5 P28074 1/20 0.34
CCR1 P32246 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL4131043 1.00 MAPK1 (0.39) MAPK1TRPV4FABP4CCKBRITGA1
SCHEMBL4143367 0.94 MAPK1 (0.41) MAPK1TRPV4FABP4CCKBRITGA1
SCHEMBL4143372 0.94 MAPK1 (0.41) MAPK1TRPV4FABP4CCKBRITGA1
SCHEMBL4136390 0.92 MAPK1 (0.40) MAPK1TRPV4FABP4CCKBRITGA1
SCHEMBL4140598 0.92 MAPK1 (0.40) MAPK1TRPV4FABP4CCKBRITGA1
SCHEMBL4142787 0.91 MAPK1 (0.42) MAPK1TRPV4FABP4CCKBRITGA1
SCHEMBL4142783 0.91 MAPK1 (0.42) MAPK1TRPV4FABP4CCKBRITGA1
SCHEMBL4127414 0.91 MAPK1 (0.39) MAPK1TRPV4FABP4CCKBRITGA1
SCHEMBL4127419 0.91 MAPK1 (0.39) MAPK1TRPV4FABP4CCKBRITGA1
SCHEMBL4130174 0.91 MAPK1 (0.41) MAPK1TRPV4FABP4CCKBRITGA1

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 4 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
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 EP claimed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO claimed
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 MAPK1 1486/4885TRPV4 1/4885FABP4 856/4885

“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.