SCHEMBL9907154

SCHEMBL9907154

CC(C)(C)c1cc(COCc2ccccc2)cc(C(=O)CBr)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.42
GSK3B P49841 2/20 0.42
TACR1 P25103 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
NR4A2 P43354 2/20 0.40
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
EGFR P00533 1/20 0.39
AR P10275 1/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 2/20 0.37
HTT P42858 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RECQL P46063 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL13746984 0.87 TACR1 (0.41) TACR1MRGPRX4NR4A2NR4A1NR4A3
SCHEMBL1188489 0.85 MAOB (0.47) TACR1MRGPRX4NR4A2NR4A1NR4A3
SCHEMBL1188098 0.85 F2R (0.45) PTPN1GSK3BTACR1MRGPRX4NR4A2
SCHEMBL9907149 0.83 F2R (0.38) PTPN1GSK3BTACR1MRGPRX4NR4A2
SCHEMBL9907156 0.82 GSK3B (0.39) PTPN1GSK3BMRGPRX4NR4A2NR4A1
SCHEMBL1205351 0.82 F2R (0.35) PTPN1GSK3BTACR1ALDH1A1RAB9A
SCHEMBL9907146 0.80 F2R (0.34) PTPN1GSK3BTACR1LMNAACHE
SCHEMBL12187598 0.77 EPHX2 (0.39) PTPN1GSK3BRAB9AACHENPC1
SCHEMBL1927936 0.76 GSK3B (0.46) PTPN1GSK3BRAB9AACHENPC1
SCHEMBL22799720 0.74 LOXL2 (0.47) MRGPRX4TSHRALDH1A1RAB9ALMNA

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-20110034451-A1 TRIAZOLOPYRIDAZINES 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-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

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 PTPN1 608/4885GSK3B 2283/4885TACR1 182/4885
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 PTPN1 774/4885GSK3B 1782/4885TACR1 188/4885
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 PTPN1 813/4885GSK3B 1828/4885TACR1 205/4885
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 PTPN1 608/4885GSK3B 2283/4885TACR1 182/4885

“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.