SCHEMBL1496836

SCHEMBL1496836

CN(C)CCCC(NC(=O)Nc1ccsc1)c1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 12/20 0.39
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
P2RY2 P41231 1/20 0.32
TRPA1 O75762 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
ELANE P08246 1/20 0.31
METAP1 P53582 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL3222714 0.95 UTS2R (0.39) UTS2RROCK2ROCK1METAP1HDAC1
SCHEMBL10476436 0.95 UTS2R (0.44) UTS2RROCK2ROCK1MAPKAPK2
SCHEMBL3225647 0.91 UTS2R (0.43) UTS2RROCK2ROCK1HDAC1
SCHEMBL1496848 0.89 UTS2R (0.42) UTS2RROCK2ROCK1
SCHEMBL1496869 0.88 UTS2R (0.41) UTS2RROCK2ROCK1
SCHEMBL1496991 0.86 CSF1R (0.35) ELANE
SCHEMBL1497057 0.86 ACHE (0.38) UTS2RELANE
SCHEMBL1482712 0.86 UTS2R (0.38) UTS2RROCK2ROCK1HDAC1
SCHEMBL1496871 0.86 UTS2R (0.47) UTS2RROCK2ROCK1MAPKAPK2HDAC1
SCHEMBL11899951 0.85 UTS2R (0.40) UTS2RROCK2ROCK1TRPA1

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
US-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
EP-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP 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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE CBR1, NAT1, PRMT1 UTS2R 195/4885ROCK2 3193/4885ROCK1 2339/4885

“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.