SCHEMBL1496964

SCHEMBL1496964

CCOC(=O)CNC(=O)N(CCCN1CCOCC1)Cc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.45
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 3/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.38
CD274 Q9NZQ7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ROCK2 O75116 1/20 0.37
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35

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
SCHEMBL1496851 0.91 USP2 (0.45) USP2OPRM1OPRD1MEN1KMT2A
SCHEMBL1483121 0.90 USP2 (0.47) USP2OPRM1OPRD1MEN1KMT2A
SCHEMBL1497016 0.89 USP2 (0.43) USP2OPRM1OPRD1MEN1KMT2A
SCHEMBL1496922 0.89 USP2 (0.43) USP2OPRM1OPRD1MEN1KMT2A
SCHEMBL1497120 0.88 USP2 (0.46) USP2OPRM1OPRD1TSHRALDH1A1
SCHEMBL1496873 0.87 USP2 (0.44) USP2OPRM1OPRD1MEN1KMT2A
SCHEMBL8004861 0.87 USP2 (0.45) USP2OPRM1OPRD1MEN1KMT2A
SCHEMBL1496985 0.87 USP2 (0.45) USP2OPRM1OPRD1TSHRCD274
SCHEMBL1497062 0.87 USP2 (0.44) USP2OPRM1OPRD1MEN1KMT2A
SCHEMBL1496956 0.87 USP2 (0.48) USP2OPRM1OPRD1MEN1KMT2A

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 8 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
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
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 USP2 598/4885OPRM1 78/4885OPRD1 390/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 USP2 702/4885OPRM1 13/4885OPRD1 152/4885

“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.