SCHEMBL7989138

SCHEMBL7989138

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)Nc2ccsc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
TSHR P16473 2/20 0.47
CD274 Q9NZQ7 1/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 4/20 0.44
ROCK2 O75116 1/20 0.43
MAPT P10636 5/20 0.43
TP53 P04637 2/20 0.43
THRB P10828 2/20 0.43
GAA P10253 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 3/20 0.42
NAMPT P43490 1/20 0.41
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3835326 0.95 OPRM1 (0.49) OPRM1OPRD1TSHRCD274USP2
SCHEMBL1496956 0.91 USP2 (0.48) OPRM1OPRD1TSHRCD274USP2
SCHEMBL1496997 0.89 HRH3 (0.45) OPRM1OPRD1TSHRCD274USP2
SCHEMBL7998011 0.89 ALDH1A1 (0.49) OPRM1OPRD1TSHRCD274USP2
SCHEMBL8000226 0.87 KDM4E (0.47) OPRM1OPRD1TSHRCD274USP2
SCHEMBL8001327 0.87 HSD17B10 (0.47) OPRM1OPRD1TSHRCD274USP2
SCHEMBL3230167 0.86 USP2 (0.49) OPRM1OPRD1TSHRUSP2ALDH1A1
SCHEMBL8004867 0.86 OPRM1 (0.50) OPRM1OPRD1TSHRUSP2ALDH1A1
SCHEMBL8001441 0.86 ALDH1A1 (0.45) OPRM1OPRD1TSHRCD274USP2
SCHEMBL7998610 0.85 NAMPT (0.45) OPRM1OPRD1TSHRCD274USP2

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 OPRM1 78/4885OPRD1 390/4885TSHR 92/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 OPRM1 13/4885OPRD1 152/4885TSHR 165/4885

“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.