SCHEMBL4136057

SCHEMBL4136057

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
TRPV4 Q9HBA0 8/20 0.39
CCR1 P32246 1/20 0.37
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35
NLRP1 Q9C000 1/20 0.35
HTT P42858 1/20 0.34
FABP4 P15090 1/20 0.34
PTGES O14684 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL4136055 1.00 GAA (0.40) GAATRPV4CCR1RAB9AHPGD
SCHEMBL4130382 0.93 GAA (0.38) GAATRPV4CCR1RAB9AHPGD
SCHEMBL4130384 0.93 GAA (0.38) GAATRPV4CCR1RAB9AHPGD
SCHEMBL4136390 0.91 MAPK1 (0.40) GAATRPV4CCR1FABP4PTGES
SCHEMBL4140598 0.91 MAPK1 (0.40) GAATRPV4CCR1FABP4PTGES
SCHEMBL4131622 0.90 RAB9A (0.40) GAATRPV4CCR1RAB9APTGDR
SCHEMBL4131620 0.90 RAB9A (0.40) GAATRPV4CCR1RAB9APTGDR
SCHEMBL4136806 0.90 SLC6A3 (0.38) GAATRPV4CCR1CNR1CNR2
SCHEMBL4136808 0.90 SLC6A3 (0.38) GAATRPV4CCR1CNR1CNR2
SCHEMBL4136028 0.90 RAB9A (0.40) GAATRPV4CCR1RAB9APTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 3715/4885TRPV4 1/4885CCR1 766/4885

“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.