SCHEMBL1497117

SCHEMBL1497117

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(C(CCN2CCCC2)NC(=O)Nc2ccsc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.35
MAPK1 P28482 2/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
CCR5 P51681 2/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 4/20 0.34
ROCK1 Q13464 4/20 0.34
NAMPT P43490 1/20 0.33
ELANE P08246 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CCR2 P41597 2/20 0.32

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
SCHEMBL1497057 0.95 ACHE (0.38) UTS2RMAPK1ACHEBACE1JAK2
SCHEMBL1497013 0.95 CSF1R (0.36) MAPK1CCR5ELANECCR2
SCHEMBL1496855 0.93 CD274 (0.40) JAK2ROCK2ROCK1HTR2AHTR2C
SCHEMBL1496991 0.91 CSF1R (0.35) ACHEBACE1ELANE
SCHEMBL1496958 0.89 CD274 (0.39) JAK2HTR2AHTR2C
SCHEMBL10476436 0.86 UTS2R (0.44) UTS2RROCK2ROCK1
SCHEMBL1496935 0.86 UTS2R (0.38) UTS2RMAPK1CCR5ROCK2ROCK1
SCHEMBL3230179 0.85 JAK2 (0.38) JAK2
SCHEMBL1496836 0.84 UTS2R (0.39) UTS2RROCK2ROCK1ELANE
SCHEMBL3230156 0.84 JAK2 (0.38) JAK2

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 195/4885MAPK1 1105/4885ACHE 1166/4885

“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.