SCHEMBL1194457

SCHEMBL1194457

COCCOc1cc(C(C)=O)cc(S(F)(F)(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ GAA P10253 1/20 0.38
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ HTT P42858 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ PLA2G2A P14555 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ MAPK1 P28482 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
SCHEMBL1205449 0.93 L3MBTL1 (0.41) ALDH1A1MAPTL3MBTL1GAANPC1
SCHEMBL1194778 0.85 GSK3B (0.42) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL14227712 0.84 MAPT (0.49) ALDH1A1MAPTL3MBTL1GAANPC1
SCHEMBL1194357 0.83 CREBBP (0.46) ALDH1A1NPC1RAB9AKMT2AKDM4E
SCHEMBL1190292 0.82 LMNA (0.44) ALDH1A1L3MBTL1GAANPC1RAB9A
SCHEMBL19999973 0.80 MAPT (0.45) ALDH1A1MAPTL3MBTL1GAANPC1
SCHEMBL12345687 0.78 MAPT (0.44) ALDH1A1MAPTL3MBTL1GAANPC1
SCHEMBL9525773 0.78 KMT2A (0.54) ALDH1A1MAPTL3MBTL1GAAKMT2A
SCHEMBL1205749 0.78 NPC1 (0.35) ALDH1A1MAPTNPC1RAB9ARECQL
SCHEMBL1188548 0.78 F2R (0.44) ALDH1A1MAPTL3MBTL1GAANPC1

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-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-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
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 ALDH1A1 1015/4885MAPT 4600/4885L3MBTL1 3408/4885
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 ALDH1A1 1015/4885MAPT 4600/4885L3MBTL1 3408/4885
US-20110034461-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL1, F2RL3 ALDH1A1 3141/4885MAPT 4699/4885L3MBTL1 3855/4885

“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.

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