SCHEMBL4131940

SCHEMBL4131940

CC(=S)c1ccc(C)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 3/20 0.44
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
SLC6A2 P23975 1/20 0.44
CHRNB4 P30926 1/20 0.44
SLC6A4 P31645 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CHRND Q07001 1/20 0.44
GAA P10253 2/20 0.43
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL16955599 0.82 CYP3A4 (0.48) CYP3A4HPGDMAPTCHRNA1CHRNG
SCHEMBL9548006 0.79 PRSS1 (0.52) HPGDMAPTNPC1ALDH1A1MEN1
SCHEMBL703716 0.78 HPGD (0.53) CYP3A4HPGDCHRNA1CHRNGCHRNB1
SCHEMBL6128400 0.78 CYP3A4 (0.45) CYP3A4HPGDMAPTCHRNA1CHRNG
SCHEMBL11806224 0.76 GAA (0.43) CYP3A4HPGDMAPTCHRNA1CHRNG
SCHEMBL2924706 0.76 HPGD (0.54) CYP3A4HPGDMAPTCHRNA1CHRNG
SCHEMBL16952569 0.75 HPGD (0.42) CYP3A4HPGDMAPTCHRNA1CHRNG
SCHEMBL16954415 0.75 GAA (0.44) CYP3A4HPGDMAPTCHRNA1CHRNG
SCHEMBL6112854 0.74 HDAC1 (0.53) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL29619400 0.74 TSHR (0.65) HPGDMAPTCHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253577-A1 BIODEFENSE AGENTS BioVersys AG (CH) 2021-08-19 US disclosed
US-20090088584-A1 PROCESS FOR PREPARING 3, 4-DISUBSTITUTED PHENYLACETIC ACIDS AND NOVEL INTERMEDIATES DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2009-04-02 US disclosed
CN-101389602-A Process for preparing 3, 4-disubstituted phenylacetic acids and novel intermediates DSM FINE CHEM AUSTRIA GMBH (AT) 2009-03-18 CN disclosed
EP-1986995-A1 PROCESS FOR PREPARING 3, 4-DISUBSTITUTED PHENYLACETIC ACIDS AND NOVEL INTERMEDIATES DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2008-11-05 EP disclosed
WO-2007096034-A1 PROCESS FOR PREPARING 3, 4-DISUBSTITUTED PHENYLACETIC ACIDS AND NOVEL INTERMEDIATES DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-08-30 WO disclosed
EP-0191496-B1 TRIAZINE DERIVATIVES, A PROCESS FOR PREPARING THE DERIVATIVES, AND HERBICIDES CONTAINING THE DERIVATIVES AS THE EFFECTIVE COMPONENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-10-31 EP disclosed
US-4680054-A Triazine derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-07-14 US disclosed
EP-0191496-A2 Triazine Derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1986-08-20 EP disclosed
US-3954871-A ANTIARRHYTHMIA, VASODILATOR, HYPOTENSIVE CONTINENTAL PHARMA (BE) 1976-05-04 US 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-20090088584-A1 PROCESS FOR PREPARING 3, 4-DISUBSTITUTED PHENYLACETIC ACIDS AND NOVEL INTERMEDIATES PAH, CTRC, DDC CYP3A4 142/4885HPGD 3894/4885MAPT 3962/4885
US-20210253577-A1 BIODEFENSE AGENTS BPGM, DDT, UNG CYP3A4 2447/4885HPGD 1855/4885MAPT 557/4885

“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.