SCHEMBL172731

SCHEMBL172731

Cc1cc(-c2ccsc2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.57
ACMSD Q8TDX5 1/20 0.57
HSD17B1 P14061 5/20 0.50
HSD17B2 P37059 5/20 0.50
ESR2 Q92731 2/20 0.49
KCNH2 Q12809 1/20 0.48
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2A6 P11509 3/20 0.44
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FGFR1 P11362 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2B6 P20813 1/20 0.42
ESR1 P03372 1/20 0.41
PTPRC P08575 1/20 0.41

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
SCHEMBL14506751 0.82 KCNH2 (0.53) ERN1ACMSDKCNH2CYP2A6CYP2E1
SCHEMBL29429121 0.81 HSD17B1 (0.68) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
SCHEMBL29696046 0.81 HSD17B1 (0.68) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
SCHEMBL272034 0.81 HSD17B1 (0.68) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
SCHEMBL26979937 0.81 HSD17B1 (0.68) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
SCHEMBL13589555 0.79 HSD17B1 (0.72) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
Hydrogen Sulfide SCHEMBL6269773 0.79 HSD17B1 (0.65) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
Hydrogen Sulfide SCHEMBL22042810 0.79 HSD17B1 (0.65) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
SCHEMBL3811825 0.79 HSD17B1 (0.72) HSD17B1HSD17B2ESR2CYP3A4CYP2D6
SCHEMBL18717328 0.77 KCNH2 (0.69) ERN1ACMSDKCNH2CYP3A4CYP2A6

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020018747-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE CASE WESTERN RESERVE UNIVERSITY (US) 2020-01-23 WO disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
EP-1352650-B1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES INST MED MOLECULAR DESIGN INC (JP) 2012-03-07 EP disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
CN-1326519-C Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2007-07-18 CN disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN 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 (5 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ERN1 1883/4885ACMSD 2037/4885HSD17B1 220/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ERN1 1918/4885ACMSD 1968/4885HSD17B1 261/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR ERN1 2842/4885ACMSD 92/4885HSD17B1 275/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR ERN1 2799/4885ACMSD 96/4885HSD17B1 233/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA ERN1 4490/4885ACMSD 1166/4885HSD17B1 714/4885

“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.