SCHEMBL4129744

SCHEMBL4129744

CC(C)NC(=O)N(CCCCNS(=O)(=O)c1ccc(Cl)cc1Cl)C(Cl)CN(C(=O)O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 7/20 0.39
FABP4 P15090 2/20 0.38
GAA P10253 1/20 0.38
CCR1 P32246 1/20 0.35
PTGES O14684 1/20 0.35
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ITGA1 P56199 2/20 0.35
APP P05067 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PTPRB P23467 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 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
SCHEMBL4129742 0.79 TRPV4 (0.39) TRPV4FABP4GAACCR1PTGES
SCHEMBL4136134 0.75 GAA (0.41) TRPV4FABP4GAACCR1PTGES
SCHEMBL4773183 0.74 GAA (0.40) TRPV4FABP4GAACCR1PTGES
SCHEMBL4145503 0.74 PTGES (0.41) TRPV4FABP4GAAPTGESPTGDR
SCHEMBL4134999 0.73 GSTO1 (0.44) TRPV4GAACCR1PTGDRPTGDR2
SCHEMBL4136390 0.73 MAPK1 (0.40) TRPV4FABP4GAACCR1PTGES
SCHEMBL4140598 0.73 MAPK1 (0.40) TRPV4FABP4GAACCR1PTGES
SCHEMBL4135431 0.73 TRPV4 (0.41) TRPV4FABP4GAAPTGESPTGDR
SCHEMBL4136055 0.72 GAA (0.40) TRPV4FABP4GAACCR1PTGES
SCHEMBL4136057 0.72 GAA (0.40) TRPV4FABP4GAACCR1PTGES

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 6 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
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 EP 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 1/4885FABP4 856/4885GAA 3715/4885

“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.