SCHEMBL16675744

SCHEMBL16675744

OCc1cccc(-c2cc3ccccc3s2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.60
HSD17B2 P37059 3/20 0.60
APP P05067 2/20 0.58
CYP2A6 P11509 1/20 0.50
ESR1 P03372 3/20 0.49
ESR2 Q92731 3/20 0.49
ERN1 O75460 4/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
PRKCI P41743 1/20 0.44
HPGDS O60760 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
HDAC2 Q92769 1/20 0.41
EGFR P00533 1/20 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
SCHEMBL4910282 0.87 APP (0.67) HSD17B1HSD17B2APPCYP2A6ESR1
SCHEMBL28357471 0.84 APP (0.58) HSD17B1HSD17B2APPCYP2A6ESR1
SCHEMBL27631114 0.82 HSD17B1 (0.77) HSD17B1HSD17B2APPCYP2A6ESR1
Alcohol SCHEMBL28260373 0.81 APP (0.64) HSD17B1HSD17B2APPCYP2A6ESR1
SCHEMBL29766071 0.80 APP (0.71) HSD17B1HSD17B2APPCYP2A6ESR1
SCHEMBL163523 0.80 APP (0.71) HSD17B1HSD17B2APPCYP2A6ESR1
Bromide SCHEMBL31564934 0.79 APP (0.69) HSD17B1HSD17B2APPCYP2A6ESR1
SCHEMBL32677328 0.78 APP (0.81) HSD17B1HSD17B2APPCYP2A6ESR1
SCHEMBL27159530 0.78 APP (0.81) HSD17B1HSD17B2APPCYP2A6ESR1
SCHEMBL30340807 0.78 HSD17B1 (0.75) HSD17B1HSD17B2APPESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855489-B1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2017-01-04 EP disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-9518064-B2 Imidazothiadiazole and imidazopyridazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 US disclosed
US-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY 2015-04-30 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 (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-20150119390-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, F2RL1 HSD17B1 1901/4885HSD17B2 2208/4885APP 1934/4885

“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.