SCHEMBL4625331

SCHEMBL4625331

CC(NC(=S)NCCc1ccccc1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
TAAR1 Q96RJ0 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DUSP3 P51452 1/20 0.50
PTPN11 Q06124 1/20 0.50
ALOX12 P18054 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
EPHX2 P34913 5/20 0.47
LMNA P02545 3/20 0.47
CA12 O43570 2/20 0.47
THRB P10828 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL12049794 0.86 ALDH1A1 (0.48) ALDH1A1CA1CA2TAAR1DUSP3
SCHEMBL15398273 0.86 NPC1 (0.64) GAAALDH1A1NPC1RAB9ATAAR1
SCHEMBL6564517 0.84 RAB9A (0.67) GAAALDH1A1NPC1RAB9ACA1
SCHEMBL13764396 0.77 ALDH1A1 (0.76) GAAALDH1A1NPC1RAB9ACA1
SCHEMBL12060938 0.75 MAPT (0.52) GAAALDH1A1NPC1RAB9ATAAR1
SCHEMBL4624020 0.74 EPHX2 (0.59) EPHX2
SCHEMBL28750595 0.73 TDP1 (0.45) GAAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL22561681 0.73 RAB9A (0.66) GAAALDH1A1NPC1RAB9ACA1
SCHEMBL21063806 0.72 RAB9A (0.68) NPC1RAB9ACA1CA2TAAR1
SCHEMBL5443726 0.71 NPC1 (0.68) GAAALDH1A1NPC1RAB9ACA1

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 7 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
EP-1303483-B1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2008-04-23 EP 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 GAA 1832/4885ALDH1A1 2306/4885NPC1 3139/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 GAA 2739/4885ALDH1A1 2182/4885NPC1 3102/4885

“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.