SCHEMBL1497070

SCHEMBL1497070

CCC(C)NC(=O)N(CCN(C)C)Cc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
PDCD1 Q15116 6/20 0.36
CD274 Q9NZQ7 6/20 0.36
ROCK1 Q13464 2/20 0.34
ROCK2 O75116 3/20 0.33
ACACB O00763 1/20 0.32
ELANE P08246 1/20 0.32
DGAT1 O75907 1/20 0.32
P2RX3 P56373 1/20 0.32
HDAC1 Q13547 1/20 0.32
ABCB1 P08183 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
SCHEMBL3234371 0.93 PDCD1 (0.40) TRPA1PDCD1CD274ROCK1ROCK2
SCHEMBL1497091 0.93 TRPA1 (0.38) TRPA1PDCD1CD274ROCK1ROCK2
SCHEMBL1496961 0.88 PDCD1 (0.36) TRPA1PDCD1CD274ROCK1ROCK2
SCHEMBL1497457 0.88 PDCD1 (0.37) TRPA1PDCD1CD274ROCK1ROCK2
SCHEMBL1497069 0.87 PDCD1 (0.36) TRPA1PDCD1CD274ROCK1ROCK2
SCHEMBL1497447 0.87 HDAC1 (0.35) TRPA1PDCD1CD274ROCK1ROCK2
SCHEMBL1496870 0.86 AVPR1A (0.37)
SCHEMBL1497134 0.85 PDCD1 (0.38) PDCD1CD274ROCK1ROCK2ACACB
SCHEMBL1496921 0.85 TRPA1 (0.34) TRPA1PDCD1CD274ROCK1ROCK2
SCHEMBL1496932 0.85 PDCD1 (0.37) TRPA1PDCD1CD274ROCK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288380-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-10-16 US disclosed
US-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
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-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP disclosed
US-8198271-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-31 US disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed
WO-2009142321-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE 参天製薬株式会社 (JP) 2009-11-26 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 (2 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 TRPA1 1961/4885PDCD1 4160/4885CD274 4096/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 TRPA1 992/4885PDCD1 4547/4885CD274 4718/4885

“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.