SCHEMBL1194761

SCHEMBL1194761

Nc1cc(S(F)(F)(F)(F)F)ccc1C(=O)CBr

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ GSK3B P49841 6/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ TAS2R14 Q9NYV8 1/20 0.31
▸ CFTR P13569 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ PDE2A O00408 1/20 0.30

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
SCHEMBL14236427 0.83 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10PTGS1
SCHEMBL1194035 0.81 GSK3B (0.40) PTPN1HPGDSGSK3BPTGS1PTGS2
SCHEMBL1194394 0.80 ALDH1A1 (0.42) PTPN1KDM4EALDH1A1HPGDSGSK3B
SCHEMBL29377565 0.79 ALDH1A1 (0.53) PTPN1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1194182 0.79 ALDH1A1 (0.53) PTPN1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1194676 0.77 HSD17B1 (0.38) KDM4EALDH1A1HPGDHSD17B10PTGS1
SCHEMBL8129402 0.74 ABL1 (0.54) KDM4EALDH1A1HPGDHSD17B10GSK3B
SCHEMBL1194251 0.72 GSK3B (0.38) PTPN1GSK3B
SCHEMBL16110122 0.71 PTPN1 (0.61) PTPN1GSK3BAKR1C3AKR1C2
SCHEMBL28720487 0.69 PTPN1 (0.39) PTPN1KDM4EALDH1A1HPGDHSD17B10

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 7 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
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 PTPN1 1291/4885KDM4E 3732/4885ALDH1A1 3141/4885

“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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