SCHEMBL1194394

SCHEMBL1194394

O=C(CBr)c1ccc(S(F)(F)(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ ERCC5 P28715 3/20 0.38
▸ FEN1 P39748 3/20 0.38
▸ GSK3B P49841 5/20 0.38
▸ PTPN1 P18031 6/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGDS O60760 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ KLF5 Q13887 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL1194035 0.81 GSK3B (0.40) GSK3BPTPN1HPGDS
SCHEMBL1194761 0.80 PTPN1 (0.34) ALDH1A1GSK3BPTPN1CASP1KDM4E
SCHEMBL2342293 0.79 TSHR (0.57) ALDH1A1TSHRCASP1SMN1; SMN2KDM4E
SCHEMBL3322169 0.77 PTPN1 (0.50) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL1194373 0.77 TSHR (0.37) ALDH1A1MAPK1HIF1ATSHRCASP1
SCHEMBL641759 0.77 ALDH1A1 (0.69) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL29859075 0.77 ALDH1A1 (0.69) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL6579360 0.75 PTPN1 (0.48) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL30356509 0.75 GSK3B (0.48) ALDH1A1MAPK1HIF1AERCC5FEN1
SCHEMBL6516476 0.75 GSK3B (0.48) ALDH1A1MAPK1HIF1AERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20110034461-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL1, F2RL3 ALDH1A1 3141/4885MAPK1 972/4885HIF1A 1997/4885

“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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