SCHEMBL4892802

SCHEMBL4892802

CC(C)(C)OC(=O)NCc1ccc(NS(=O)(=O)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA12 O43570 1/20 0.58
CA7 P43166 1/20 0.58
CA14 Q9ULX7 1/20 0.58
NAMPT P43490 2/20 0.51
CA2 P00918 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.45
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTPRB P23467 1/20 0.44
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43

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
SCHEMBL4887187 0.89 NAMPT (0.51) CA1CA12CA7CA14NAMPT
SCHEMBL2002710 0.86 EPHX2 (0.60) NAMPTLMNAEPHX2NR1H4
SCHEMBL8244234 0.86 CA12 (0.53) CA1CA12CA7CA14CA2
SCHEMBL22407524 0.85 CA1 (0.55) CA1CA12CA7CA14NAMPT
SCHEMBL5307272 0.85 NAMPT (0.52) CA1CA12CA7CA14NAMPT
SCHEMBL5308235 0.84 PPARA (0.55) CA1NAMPTCA2L3MBTL1LMNA
SCHEMBL4891161 0.83 HPGD (0.52) CA1CA12CA7CA14NAMPT
SCHEMBL3180689 0.82 L3MBTL1 (0.61) CA1CA12CA7CA14NAMPT
SCHEMBL19640466 0.82 NAMPT (0.49) CA1CA12CA7CA14NAMPT
SCHEMBL14281810 0.82 CA12 (0.49) CA1CA12CA7CA14NAMPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071650-B2 Vanilloid receptor modulators; analgesic, antiinflammatory and antiulcer effects; such as 1-(1H-indol-5-ylmethyl)-3-phenethylthiourea PACIFIC CORPORATION (KR) 2011-12-06 US disclosed
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 US disclosed
EP-1303483-A4 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2004-11-03 EP disclosed
US-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-08-14 US disclosed
EP-1303483-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-04-23 EP disclosed
WO-2002016318-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 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-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TAS2R40, TAS1R2, TAS2R45 CA1 3550/4885CA12 3462/4885CA7 4262/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 CA1 3106/4885CA12 3180/4885CA7 3783/4885

“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.