SCHEMBL3554037

SCHEMBL3554037

O=C(S)c1cccc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.71
SRD5A2 P31213 1/20 0.59
LMNA P02545 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
P2RX1 P51575 1/20 0.56
POLB P06746 2/20 0.54
HPGD P15428 1/20 0.54
MAPT P10636 1/20 0.53
ALDH1A1 P00352 2/20 0.53
MAOB P27338 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KCNK3 O14649 1/20 0.53
PTGS1 P23219 2/20 0.51
GAA P10253 1/20 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
SCHEMBL3543277 0.85 CES2 (0.52) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL1237189 0.83 SRD5A2 (0.79) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL3176325 0.83 CES2 (1.00) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL40186 0.82 SRD5A2 (0.77) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL350153 0.82 CES2 (0.74) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL4854791 0.82 CES2 (0.74) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL29433907 0.82 SRD5A2 (0.77) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL3816062 0.82 CES2 (0.74) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL3186104 0.81 CES2 (0.57) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL11024848 0.80 CA12 (0.46) CES2SRD5A2LMNANPSR1P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012075242-A2 CONTROLLED CHEMICAL RELEASE OF HYDROGEN SULFIDE WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-07 WO disclosed
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 WO disclosed
EP-0167919-B1 BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1993-05-05 EP disclosed
US-5204482-A Ethylenediamine monoamide heteroaryl derivatives HOFFMAN-LAROCHE INC. (US) 1993-04-20 US disclosed
US-5011849-A Monoamine oxidase inhibitors HOFFMANN-LA ROCHE INC. (US) 1991-04-30 US disclosed
US-5004741-A Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals MERCK & CO., INC. (US) 1991-04-02 US disclosed
US-4820834-A Benzodiazepine analogs MERCK & CO., INC. (US) 1989-04-11 US disclosed
EP-0284256-A1 Benzodiazepine analogs MERCK & CO. INC. (US) 1988-09-28 EP disclosed
EP-0167919-A2 Benzodiazepine derivatives and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-01-15 EP disclosed
US-4296092-A Mucolytic benzene and thiophene-carbothioic acid 2-aminoalkyl ester acid salts A. H. ROBINS COMPANY, INC. (US) 1981-10-20 US disclosed
EP-0001623-B1 THIOCYANOMETHYL ESTERS OF ARYLTHIOCARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION THEIR USE AS PESTICIDES AND COMPOSITIONS CONTAINING THEM BAYER AG (DE) 1980-09-03 EP disclosed
US-4198428-A PESTICIDES, MICROBIOCIDES, MOLLUSCOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-04-15 US disclosed
EP-0001623-A1 Thiocyanomethyl esters of arylthiocarboxylic acids, process for their preparation their use as pesticides and compositions containing them BAYER AG (DE) 1979-05-02 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE CES2 625/4885SRD5A2 2467/4885LMNA 3400/4885

“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.