SCHEMBL9907152

SCHEMBL9907152

CC(C)(C)c1cc(OCC2CC2)cc(C(=O)CBr)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.48
PARP15 Q460N3 4/20 0.40
PARP10 Q53GL7 4/20 0.40
PARP2 Q9UGN5 2/20 0.40
ACACB O00763 1/20 0.38
KAT6A Q92794 3/20 0.37
NR1H4 Q96RI1 2/20 0.36
HDAC8 Q9BY41 1/20 0.35
GSK3B P49841 1/20 0.35
MCHR1 Q99705 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL9907153 0.95 F2R (0.44) F2RPARP15PARP10PARP2ACACB
SCHEMBL13746633 0.87 F2R (0.48) F2RPARP15PARP10PARP2ACACB
SCHEMBL1190052 0.85 F2R (0.46) F2RPARP15PARP10PARP2ACACB
SCHEMBL13747325 0.82 F2R (0.44) F2RPARP15PARP10PARP2ACACB
SCHEMBL9907148 0.82 F2R (0.41) F2RPARP10NR1H4GSK3B
SCHEMBL1190032 0.80 PARP10 (0.46) F2RPARP15PARP10PARP2ACACB
SCHEMBL1188133 0.80 F2R (0.46) F2RGSK3B
SCHEMBL9907146 0.80 F2R (0.34) F2RHDAC8GSK3B
SCHEMBL9907151 0.79 GSK3B (0.53) F2RNR1H4GSK3B
SCHEMBL1205248 0.78 F2R (0.43) F2RHDAC8GSK3BCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079906-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2015-07-14 US disclosed
US-9079906-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2015-07-14 US disclosed
US-8853206-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2014-10-07 US disclosed
US-8853206-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2014-10-07 US disclosed
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI (FR) 2012-08-16 US disclosed
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI (FR) 2012-08-16 US disclosed
US-8198272-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-8198272-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2012-01-12 US disclosed
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2012-01-12 US disclosed
US-8076336-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-8076336-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 US disclosed
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 US disclosed
US-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 US disclosed
US-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 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 (4 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-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 F2R 1/4885PARP15 25/4885PARP10 124/4885
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 F2R 1/4885PARP15 24/4885PARP10 46/4885
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 F2R 1/4885PARP15 27/4885PARP10 47/4885
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 F2R 1/4885PARP15 25/4885PARP10 124/4885

“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.