SCHEMBL4880045

SCHEMBL4880045

CC(C)(C)c1ccc(CNC(=S)NCc2ccco2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
MEN1 O00255 5/20 0.63
ALDH1A1 P00352 4/20 0.63
MAPT P10636 4/20 0.63
KDM4E B2RXH2 1/20 0.63
POLB P06746 1/20 0.60
TSHR P16473 1/20 0.59
RAB9A P51151 1/20 0.59
HTT P42858 1/20 0.56
GAA P10253 2/20 0.56
MAPK1 P28482 1/20 0.55
TRPV1 Q8NER1 1/20 0.53

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
SCHEMBL5449564 0.82 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL5448009 0.82 KMT2A (0.79) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL4888508 0.81 ALDH1A1 (0.69) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL12049334 0.81 ALOX12 (0.72) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL12049322 0.77 TRPV1 (0.62) TRPV1
SCHEMBL11596739 0.77 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL12060793 0.77 TRPV1 (0.62) TRPV1
SCHEMBL13762084 0.77 TDP1 (0.74) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL12049602 0.76 PLA2G1B (0.73) TRPV1
SCHEMBL4891340 0.76 EPHX2 (0.68) TRPV1

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 10 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-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-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
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 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 KMT2A 2593/4885MEN1 4024/4885ALDH1A1 2306/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 KMT2A 4297/4885MEN1 3770/4885ALDH1A1 2182/4885

“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.