SCHEMBL4442916

SCHEMBL4442916

Oc1cccc(-c2ccsc2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 10/20 0.58
HSD17B2 P37059 9/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2B6 P20813 2/20 0.56
CYP2E1 P05181 1/20 0.56
CYP2A6 P11509 1/20 0.56
FYN P06241 1/20 0.51
PRMT6 Q96LA8 1/20 0.50
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
ACMSD Q8TDX5 1/20 0.47
ERN1 O75460 1/20 0.47
KCNH2 Q12809 1/20 0.47
ESRRG P62508 1/20 0.47

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
SCHEMBL4350314 0.84 CYP2A6 (0.68) CYP3A4CYP2C9CYP2B6CYP2E1CYP2A6
SCHEMBL6067952 0.80 CYP2A6 (0.50) CYP3A4CYP2C9CYP2B6CYP2E1CYP2A6
SCHEMBL3997707 0.79
SCHEMBL29551999 0.79 HSD17B1 (0.88) HSD17B1HSD17B2CYP3A4CYP2C9CYP2B6
SCHEMBL69369 0.79 HSD17B1 (0.88) HSD17B1HSD17B2CYP3A4CYP2C9CYP2B6
SCHEMBL28164029 0.78 CYP2A6 (0.82) CYP3A4CYP2C9CYP2B6CYP2E1CYP2A6
SCHEMBL8050006 0.77 HSD17B1 (0.94) HSD17B1HSD17B2CYP3A4CYP2C9CYP2B6
Ammonia Solution, Strong SCHEMBL28150307 0.77 HSD17B1 (0.83) HSD17B1HSD17B2CYP3A4CYP2C9CYP2B6
SCHEMBL13210803 0.76 ESR1 (0.61) HSD17B1HSD17B2CYP3A4CYP2C9CYP2B6
SCHEMBL17004981 0.76 CYP2A6 (0.70) CYP3A4CYP2C9CYP2B6CYP2E1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 US disclosed
EP-1838304-B1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORP (US) 2009-08-19 EP disclosed
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US disclosed
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US disclosed
CN-101068803-A Biaryloxymethylarene carboxylic acid compounds HOFFMANN LA ROCHE (CH) 2007-11-07 CN disclosed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 US disclosed
US-5444084-A Anticholesterol, antilipidemic agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US disclosed
US-5439932-A Anticholesterol agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
EP-0609448-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE HAVING SQUALENE EPOXIDASE INHIBITORY EFFECT AND USE THEREOF BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-08-10 EP disclosed
US-5306728-A Substituted amine derivatives having antihyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0448078-A2 Substituted amine derivatives having anti-hyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP disclosed
US-4212882-A ANTIINFLAMMATORY INTERMEDIATES RIKER LABORATORIES, INC. (US) 1980-07-15 US disclosed
US-4172082-A ANTIINFLAMMATORY AGENTS RIKER LABORATORIES, INC. (US) 1979-10-23 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 (3 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-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, GSK3A HSD17B1 19/4885HSD17B2 18/4885CYP3A4 284/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A HSD17B1 19/4885HSD17B2 18/4885CYP3A4 284/4885
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF HSD17B1 2694/4885HSD17B2 2476/4885CYP3A4 494/4885

“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.