SCHEMBL4890410

SCHEMBL4890410

CC(C)(C)c1ccc(CNC(=S)NCCc2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.69
CA2 P00918 10/20 0.69
EPHX2 P34913 1/20 0.64
NR1H4 Q96RI1 1/20 0.64
CA12 O43570 4/20 0.62
ALDH1A1 P00352 3/20 0.60
CA9 Q16790 3/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
MEN1 O00255 1/20 0.59
ALOX12 P18054 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
GPR35 Q9HC97 1/20 0.58
CA7 P43166 1/20 0.58
TRPV1 Q8NER1 1/20 0.57
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56

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
SCHEMBL4891046 0.92 CA1 (0.73) CA1CA2EPHX2NR1H4CA12
SCHEMBL6563007 0.89 EPHX2 (0.63) EPHX2NR1H4TRPV1
SCHEMBL4886418 0.85 CA1 (0.72) CA1CA2CA12ALDH1A1CA9
SCHEMBL14221574 0.83 ESRRG (0.63) EPHX2MEN1KMT2ATRPV1
SCHEMBL4623761 0.82 TRPV1 (0.86) TRPV1
SCHEMBL12049555 0.82 TRPV1 (0.54) MEN1KMT2ATRPV1
SCHEMBL12060597 0.81 TRPV1 (0.53) MEN1KMT2ATRPV1
SCHEMBL12049612 0.81 PLA2G1B (0.61) TRPV1
SCHEMBL4891719 0.80 EPHX2 (0.72) EPHX2NR1H4TRPV1
SCHEMBL12049616 0.79 ALDH1A1 (0.66) EPHX2NR1H4ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 US claimed
EP-1303483-A4 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2004-11-03 EP claimed
US-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-08-14 US claimed
EP-1303483-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-04-23 EP claimed
WO-2002016318-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO claimed
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 3550/4885CA2 1239/4885EPHX2 3810/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 CA1 3106/4885CA2 1234/4885EPHX2 3840/4885

“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.