SCHEMBL1194507

SCHEMBL1194507

O=C(CBr)c1cc(Cl)cc(S(F)(F)(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.47
▸ PTPN1 P18031 6/20 0.40
▸ TPMT P51580 1/20 0.35
▸ RAB9A P51151 1/20 0.33
▸ WDR5 P61964 1/20 0.32
▸ HCAR1 Q9BXC0 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL1198757 0.81 GSK3B (0.61) GSK3BPTPN1TPMTRAB9AHCAR1
SCHEMBL1194011 0.81 GSK3B (0.46) GSK3BPTPN1WDR5
SCHEMBL15123216 0.78 TPMT (0.61) TPMTWDR5HCAR1ALDH1A1MAPT
SCHEMBL1190303 0.77 GSK3B (0.53) GSK3BPTPN1
SCHEMBL1852011 0.77 GSK3B (0.52) GSK3BPTPN1TPMTRAB9AMEN1
SCHEMBL1195322 0.77 TPMT (0.39) TPMTRAB9AWDR5HCAR1MEN1
SCHEMBL766063 0.76 GSK3B (0.56) GSK3BPTPN1MEN1KMT2A
SCHEMBL1194172 0.76 GSK3B (0.37) GSK3BPTPN1MEN1KMT2AALDH1A1
SCHEMBL1169209 0.76 WDR5 (0.39) GSK3BPTPN1WDR5ALDH1A1
SCHEMBL5050069 0.74 GSK3B (0.53) GSK3BPTPN1TPMTRAB9AHCAR1

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 GSK3B 2612/4885PTPN1 1291/4885TPMT 4175/4885

“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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