SCHEMBL1931921

SCHEMBL1931921

O=C(O)c1cccc(CS)c1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DCLRE1B Q9H816 3/20 0.56
DCLRE1A Q6PJP8 1/20 0.56
FOLH1 Q04609 7/20 0.53
HNF4A P41235 1/20 0.49
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
PIM1 P11309 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
FABP4 P15090 3/20 0.43
FABP3 P05413 1/20 0.43
FABP5 Q01469 1/20 0.43
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL29254314 0.84 CLCN2 (0.54) FOLH1HNF4AALDH1A1ALOX15MAPT
SCHEMBL3843394 0.84 HNF4A (0.55) FOLH1HNF4AALDH1A1ALOX15MAPT
SCHEMBL6782256 0.82 HNF4A (0.49) DCLRE1BDCLRE1AFOLH1HNF4AALDH1A1
SCHEMBL2356669 0.81 FOLH1 (0.70) DCLRE1BDCLRE1AFOLH1ALDH1A1ALOX15
Benzene SCHEMBL1931924 0.81 FOLH1 (0.70) DCLRE1BDCLRE1AFOLH1ALDH1A1ALOX15
SCHEMBL70098 0.80 HNF4A (0.63) HNF4AALDH1A1ALOX15MAPTKDM4E
SCHEMBL8653763 0.78 FOLH1 (0.45) DCLRE1BDCLRE1AFOLH1HNF4AALDH1A1
SCHEMBL28391136 0.77 HNF4A (0.59) HNF4AALDH1A1ALOX15MAPTKDM4E
SCHEMBL4826258 0.76 BID (0.52) ALOX15MAPTKDM4E
SCHEMBL2651867 0.76 FOLH1 (0.56) DCLRE1BDCLRE1AFOLH1ALDH1A1ALOX15

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-20110130482-A1 Process for preparing armatic thiophenyl ketones PRETOR ROGER 2011-06-02 US claimed
EP-1799638-B1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA HOLDING INC (CH) 2008-07-30 EP claimed
EP-1799638-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-06-27 EP claimed
WO-2006034966-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-04-06 WO claimed
US-20110130482-A1 Process for preparing armatic thiophenyl ketones PRETOR ROGER 2011-06-02 US disclosed
EP-1799638-B1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA HOLDING INC (CH) 2008-07-30 EP disclosed
EP-1799638-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-06-27 EP disclosed
WO-2006034966-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-04-06 WO disclosed
EP-0003771-B1 CARBOSTYRILE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1982-10-20 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-20110130482-A1 Process for preparing armatic thiophenyl ketones ACOT7, AGPAT2, COASY DCLRE1B 4663/4885DCLRE1A 4716/4885FOLH1 3847/4885

“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.