SCHEMBL1496844

SCHEMBL1496844

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(CN(CCCCN2CCOCC2)C(=O)NC2=COC=C(C3=CC=CCC3)O2)cn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
TSHR P16473 3/20 0.35
ROCK2 O75116 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
MAPT P10636 6/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 3/20 0.32
LMNA P02545 5/20 0.32
TP53 P04637 2/20 0.32
THRB P10828 2/20 0.32
HPGD P15428 2/20 0.31
CASR P41180 1/20 0.31
MAPK1 P28482 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
SCHEMBL10476402 0.98 USP2 (0.38) USP2TSHRROCK2OPRM1OPRD1
SCHEMBL1496963 0.96 CASR (0.34) USP2TSHRROCK2MAPTALDH1A1
SCHEMBL3230027 0.95 USP2 (0.38) USP2TSHRROCK2OPRM1OPRD1
SCHEMBL3235136 0.95 USP2 (0.38) USP2TSHRROCK2OPRM1OPRD1
SCHEMBL1497139 0.94 ROCK2 (0.32) USP2TSHRROCK2
SCHEMBL3221274 0.94 USP2 (0.40) USP2TSHRROCK2OPRM1OPRD1
SCHEMBL10476409 0.93 TSHR (0.32) USP2TSHRROCK2MAPTALDH1A1
SCHEMBL1496852 0.91 ROCK2 (0.31) ROCK2
SCHEMBL11898574 0.91 TSHR (0.36) USP2TSHRROCK2OPRM1OPRD1
SCHEMBL3232062 0.91 ROCK2 (0.33) USP2TSHRROCK2

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 USP2 598/4885TSHR 92/4885ROCK2 3193/4885

“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.