SCHEMBL1496958

SCHEMBL1496958

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(C(CCCN2CCOCC2)NC(=O)Nc2ccsc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.39
JAK2 O60674 1/20 0.38
EPHX2 P34913 13/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL3230179 0.96 JAK2 (0.38) CD274JAK2EPHX2
SCHEMBL1496855 0.96 CD274 (0.40) CD274JAK2EPHX2HTR2AHTR2C
SCHEMBL3230156 0.94 JAK2 (0.38) CD274JAK2EPHX2
SCHEMBL1497057 0.94 ACHE (0.38) JAK2HRH3
SCHEMBL1496991 0.94 CSF1R (0.35) EPHX2
SCHEMBL10476433 0.91 CD274 (0.46) CD274JAK2EPHX2HRH3
SCHEMBL1497117 0.89 UTS2R (0.35) JAK2HTR2AHTR2C
SCHEMBL1497013 0.89 CSF1R (0.36) CD274
SCHEMBL1496856 0.89 CD274 (0.41) CD274JAK2HRH3
SCHEMBL1497007 0.87 ROCK2 (0.37) EPHX2

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 CD274 4096/4885JAK2 1075/4885EPHX2 1420/4885

“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.