SCHEMBL10476402

SCHEMBL10476402

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)NC2=COC=C(C3=CC=CCC3)O2)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
TSHR P16473 3/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
ROCK2 O75116 1/20 0.34
MAPT P10636 6/20 0.34
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 4/20 0.34
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.33
HPGD P15428 2/20 0.33
NAMPT P43490 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
SCHEMBL1496844 0.98 USP2 (0.36) USP2TSHROPRM1OPRD1ROCK2
SCHEMBL1496963 0.96 CASR (0.34) USP2TSHRROCK2MAPTKDM4E
SCHEMBL3221274 0.95 USP2 (0.40) USP2TSHROPRM1OPRD1ROCK2
SCHEMBL1497139 0.95 ROCK2 (0.32) USP2TSHRROCK2
SCHEMBL10476409 0.95 TSHR (0.32) USP2TSHRROCK2MAPTKDM4E
SCHEMBL3230027 0.94 USP2 (0.38) USP2TSHROPRM1OPRD1ROCK2
SCHEMBL3235136 0.93 USP2 (0.38) USP2TSHROPRM1OPRD1ROCK2
SCHEMBL11898574 0.93 TSHR (0.36) USP2TSHROPRM1OPRD1ROCK2
SCHEMBL1496852 0.92 ROCK2 (0.31) ROCK2
SCHEMBL10476411 0.91 CSF1R (0.31)

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 2 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

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 92/4885OPRM1 78/4885

“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.