SCHEMBL16675753

SCHEMBL16675753

OCc1cccc(-c2ccc(F)cc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 1/20 0.49
PRKCI P41743 1/20 0.46
CNR1 P21554 1/20 0.45
NPY5R Q15761 1/20 0.44
ACMSD Q8TDX5 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DHFR P00374 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.43
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
HMGB1 P09429 1/20 0.43
HPGD P15428 1/20 0.43
CXCL12 P48061 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL16726970 0.83 PRKCI (0.44) CALML3PRKCINPY5RFYNKCNH2
SCHEMBL4159809 0.83 CNR1 (0.42) CALML3CNR1ACMSDKDM4EMEN1
SCHEMBL7396230 0.83 TAAR1 (0.51) CNR1ACMSDKDM4EMEN1USP2
SCHEMBL12577785 0.81 TRPA1 (0.44) CALML3PRKCINPY5R
SCHEMBL26133200 0.80 PRKCI (0.58) PRKCINPY5RACMSDFYNCHRNB4
SCHEMBL30484235 0.80 PRKCI (0.58) PRKCINPY5RACMSDFYNCHRNB4
SCHEMBL14926547 0.79 CNR1 (0.49) CNR1ACMSDKDM4EMEN1USP2
SCHEMBL20677885 0.78 PRKCI (0.61) PRKCINPY5RACMSDFYNAGXT
SCHEMBL30484286 0.78 PRKCI (0.61) PRKCINPY5RACMSDFYNAGXT
SCHEMBL538836 0.78 PTGS1 (0.47) CALML3MEN1LMNAHPGDKMT2A

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 CALML3 1754/4885PRKCI 3236/4885CNR1 465/4885

“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.