SCHEMBL1194357

SCHEMBL1194357

CCOc1cc(C(C)=O)cc(S(F)(F)(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ BRD2 P25440 1/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TSHR P16473 2/20 0.38
▸ PARP10 Q53GL7 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ MAOB P27338 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL1195280 0.86 NPC1 (0.38) CREBBPBRD4BRD2KMT2AMEN1
SCHEMBL1195294 0.84 BRD4 (0.49) CREBBPBRD4BRD2KMT2AMEN1
SCHEMBL1195163 0.83 GSK3B (0.41) KMT2AMEN1ALDH1A1TSHRPARP10
SCHEMBL1194457 0.83 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1KDM4EMAOB
SCHEMBL1190292 0.83 LMNA (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL9701615 0.82 KMT2A (0.59) CREBBPBRD4BRD2KMT2AMEN1
SCHEMBL1205449 0.82 L3MBTL1 (0.41) KMT2AMEN1ALDH1A1MAOBNPC1
SCHEMBL1194335 0.81 PTGS2 (0.35) CREBBPBRD4BRD2KMT2AMEN1
SCHEMBL1194738 0.80 MLYCD (0.39) CREBBPBRD4BRD2KMT2AMEN1
SCHEMBL13760629 0.80 NPC1 (0.35) CREBBPBRD4BRD2KMT2AMEN1

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 22 patents — showing the first 20. 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-9079906-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2015-07-14 — — US disclosed
US-8466169-B2 SF5 derivatives as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2013-06-18 — — US disclosed
US-8466169-B2 SF5 derivatives as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2013-06-18 — — US disclosed
US-8466169-B2 SF5 derivatives as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2013-06-18 — — US disclosed
EP-2242740-B1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI SA (FR) 2012-12-12 — — EP 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-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-20110034461-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 — — US disclosed
US-20110034461-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 — — US disclosed
US-20110034461-A1 SF5 DERIVATIVES 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
US-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 — — US disclosed
WO-2009097970-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 — — WO disclosed
WO-2009097972-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-08-13 — — WO 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 (3 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 CREBBP 4461/4885BRD4 655/4885BRD2 2400/4885
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 CREBBP 4461/4885BRD4 655/4885BRD2 2400/4885
US-20110034461-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL1, F2RL3 CREBBP 4719/4885BRD4 1720/4885BRD2 3705/4885

“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.

Send feedback