SCHEMBL1496866

SCHEMBL1496866

CN(C)CCC(NC(=O)NCCc1ccccc1)c1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 15/20 0.44
CTSK P43235 3/20 0.39
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
HIF1A Q16665 1/20 0.36

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
SCHEMBL10476396 0.96 UTS2R (0.42) UTS2RCTSKROCK2ROCK1HIF1A
SCHEMBL1496899 0.95 CTSK (0.40) UTS2RCTSKHIF1A
SCHEMBL11898930 0.95 UTS2R (0.43) UTS2RCTSKROCK2ROCK1
SCHEMBL3233800 0.95 UTS2R (0.46) UTS2RCTSKROCK2ROCK1HIF1A
SCHEMBL10476443 0.93 UTS2R (0.38) UTS2R
SCHEMBL1496865 0.93 UTS2R (0.36) UTS2R
SCHEMBL1496849 0.92 UTS2R (0.44) UTS2R
SCHEMBL2383826 0.90 CTSK (0.41) UTS2RCTSKHIF1A
SCHEMBL10476414 0.90 UTS2R (0.46) UTS2RCTSK
SCHEMBL10476403 0.90 UTS2R (0.38) UTS2RROCK2ROCK1

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 195/4885CTSK 4401/4885ROCK2 3193/4885

“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.