SCHEMBL4101962

SCHEMBL4101962

CC(=S)Nc1ccccc1.CC(=S)Nc1ccccc1.[Hg]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 3/20 0.95
HSD17B10 Q99714 3/20 0.62
ALDH1A1 P00352 3/20 0.62
TP53 P04637 1/20 0.62
TYR P14679 1/20 0.62
TSHR P16473 1/20 0.62
CYP3A4 P08684 1/20 0.61
GAA P10253 5/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 1/20 0.56
NOX1 Q9Y5S8 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
MAPT P10636 4/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
EPHX1 P07099 1/20 0.55
PHGDH O43175 1/20 0.54
CYP1A2 P05177 2/20 0.50

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
SCHEMBL340780 0.97 TAS2R38 (1.00) TAS2R38HSD17B10ALDH1A1TP53TYR
SCHEMBL31110551 0.95 TAS2R38 (0.95) TAS2R38HSD17B10ALDH1A1TP53TYR
Phosphonic Acid SCHEMBL9435620 0.87 TAS2R38 (0.79) TAS2R38HSD17B10ALDH1A1TP53TYR
SCHEMBL14511451 0.84 TAS2R38 (0.75) TAS2R38HSD17B10ALDH1A1TP53TYR
SCHEMBL201794 0.79 ALDH1A1 (0.67) TAS2R38ALDH1A1CYP3A4GAAKMT2A
Acrylamide SCHEMBL11027613 0.79 TAS2R38 (0.66) TAS2R38HSD17B10ALDH1A1TP53TYR
Phenylthiourea SCHEMBL42753 0.77 ALDH1A1 (1.00) TAS2R38HSD17B10ALDH1A1TP53TYR
Phenylthiourea SCHEMBL11820844 0.77 ALDH1A1 (1.00) TAS2R38HSD17B10ALDH1A1TP53TYR
Phenylthiourea SCHEMBL7814239 0.76 ALDH1A1 (0.86) TAS2R38HSD17B10ALDH1A1TP53TYR
SCHEMBL28051724 0.76 TAS2R38 (0.63) TAS2R38HSD17B10ALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265593-B1 NOVEL 1,2,4-TRIAZOLE DERIVATIVES AND PROCESS OF MANUFACTURING THEREOF AETERNA ZENTARIS GMBH (DE) 2013-08-28 EP disclosed
EP-2604594-A1 1,2,4-Triazole derivatives as ghrelin analogue ligands of GHS receptors Æterna Zentaris GmbH (DE) 2013-06-19 EP disclosed
US-20090239877-A1 NOVEL 1,2,4-TRIAZOLE DERIVATIVES AND PROCESS OF MANUFACTURING THEREOF AETERNA ZENTARIS GMBH (DE) 2009-09-24 US disclosed
EP-2103602-A1 Novel 1,2,4-triazole derivatives and process of manufacturing thereof AEterna Zentaris GmbH (DE) 2009-09-23 EP 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 (1 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-20090239877-A1 NOVEL 1,2,4-TRIAZOLE DERIVATIVES AND PROCESS OF MANUFACTURING THEREOF CYP3A4, CYP4B1, CYP1B1 TAS2R38 338/4885HSD17B10 431/4885ALDH1A1 301/4885

“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.