SCHEMBL16675752

SCHEMBL16675752

OCc1cccc(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.59
PDCD1 Q15116 5/20 0.51
CD274 Q9NZQ7 5/20 0.51
CALM1 P0DP23 2/20 0.50
PRKCI P41743 1/20 0.49
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.46
CNR1 P21554 1/20 0.46
ACMSD Q8TDX5 1/20 0.45
PTPRC P08575 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL16675767 0.90 CD274 (0.62) FYNPDCD1CD274PRKCIALOX5
SCHEMBL29462093 0.90 CD274 (0.62) FYNPDCD1CD274PRKCIALOX5
SCHEMBL2929152 0.83 CALM1 (0.46) FYNPDCD1CD274CALM1GABRA1
SCHEMBL18015825 0.83 MAPT (0.55) FYNCALM1GABRA1GABRB2PTGS2
SCHEMBL2692579 0.82 CA12 (0.59) GABRA1GABRB2PTGS2CNR1PTPRC
SCHEMBL29629010 0.82 PTGS2 (0.58) GABRA1GABRB2PTGS2CNR1PTPRC
SCHEMBL13802497 0.81 AGBL2 (0.60) GABRA1GABRB2PTGS2CNR1CYP3A4
SCHEMBL6520378 0.81 NR4A2 (0.65) FYN
SCHEMBL49914 0.80 CYP3A4 (0.65) CALM1CYP3A4CYP2D6
SCHEMBL29907219 0.80 CYP3A4 (0.65) CALM1CYP3A4CYP2D6

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 FYN 1063/4885PDCD1 2849/4885CD274 2852/4885

“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.