SCHEMBL4880780

SCHEMBL4880780

CSC(=O)Nc1ccc(CSNC(=O)NCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.55
EPHX2 P34913 8/20 0.51
NR1H4 Q96RI1 7/20 0.51
NPC1 O15118 1/20 0.44
CNR1 P21554 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
MTOR P42345 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL4889657 0.89 EPHX2 (0.65) TRPV1EPHX2NR1H4NPC1CNR1
SCHEMBL4892768 0.84 EPHX2 (0.66) TRPV1EPHX2NR1H4NPC1RAB9A
SCHEMBL3815572 0.82 EPHX2 (0.67) TRPV1EPHX2NR1H4
SCHEMBL4881016 0.81 EPHX2 (0.53) TRPV1EPHX2NR1H4
SCHEMBL4880784 0.81 TRPV1 (0.62) TRPV1EPHX2NR1H4
SCHEMBL4892103 0.81 EPHX2 (0.52) TRPV1EPHX2NR1H4
SCHEMBL3420620 0.74 EPHX2 (0.65) TRPV1EPHX2NR1H4NPC1RAB9A
SCHEMBL4622881 0.73 TRPV1 (0.56) TRPV1EPHX2NR1H4
SCHEMBL4884181 0.73 NR1H4 (0.49) EPHX2NR1H4NPC1RAB9A
SCHEMBL13167593 0.72 TRPV1 (0.71) TRPV1EPHX2NR1H4NPC1TSHR

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 TRPV1 18/4885EPHX2 3810/4885NR1H4 690/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 TRPV1 1/4885EPHX2 3840/4885NR1H4 640/4885

“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.