Sugi Predict

Sugi Predict / Compounds / SCHEMBL1194802

SCHEMBL1194802

SCHEMBL1194802

CC(=O)c1ccc(S(F)(F)(F)(F)F)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.34
▸ PTGS2 P35354 6/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ AKR1C3 P42330 3/20 0.33
▸ AKR1C2 P52895 3/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL18291920 0.79 PDE2A (0.44) HSD17B1PTGS2ALDH1A1CYP3A4HPGD
SCHEMBL1194035 0.79 GSK3B (0.40) PTGS2WDR5AKR1C3AKR1C2PTGS1
SCHEMBL1194676 0.78 HSD17B1 (0.38) HSD17B1PTGS2ALDH1A1CYP3A4HPGD
SCHEMBL1194373 0.78 TSHR (0.37) HSD17B1PTGS2ALDH1A1CYP3A4HPGD
SCHEMBL120277 0.75 F2R (0.48) ALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL30480694 0.75 F2R (0.48) ALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL1312703 0.74 L3MBTL1 (0.47) ALDH1A1HPGDMAPK1PTGS1MAOA
SCHEMBL29530881 0.74 L3MBTL1 (0.47) ALDH1A1HPGDMAPK1PTGS1MAOA
SCHEMBL1194589 0.74 KDM4E (0.44) PTGS2ALDH1A1HPGDAKR1C3AKR1C2
SCHEMBL687914 0.72 HSD17B1 (0.46) HSD17B1ALDH1A1CYP3A4HPGDMAPK1

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 HSD17B1 1781/4885PTGS2 474/4885WDR5 1498/4885

“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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