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SCHEMBL1194387

SCHEMBL1194387

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCCC3)cc(S(F)(F)(F)(F)F)c1)C2

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 6/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 3/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 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
SCHEMBL1194707 0.93 F2R (0.66) F2RSMN1; SMN2TSHRKDM4EKMT2A
SCHEMBL12878401 0.88 F2R (0.52) F2RKDM4EMAPTNPC1RAB9A
SCHEMBL1193870 0.87 F2R (0.56) F2RSMN1; SMN2GAATSHRKDM4E
SCHEMBL1193916 0.87 F2R (0.56) F2RSMN1; SMN2GAATSHRKDM4E
SCHEMBL1193970 0.87 F2R (0.56) F2RSMN1; SMN2GAATSHRKDM4E
SCHEMBL3455508 0.86 F2R (0.55) F2RSMN1; SMN2GAATSHRKDM4E
SCHEMBL1194979 0.86 F2R (0.59) F2RSMN1; SMN2GAAKDM4EMAPT
SCHEMBL12878354 0.85 F2R (0.54) F2RSMN1; SMN2GAAKDM4EMAPT
Bromide SCHEMBL5488575 0.85 F2R (0.56) F2RSMN1; SMN2GAATSHRKDM4E
Cyclopropane SCHEMBL3455408 0.84 F2R (0.51) F2RSMN1; SMN2GAAKDM4EMAPT

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 F2R 1/4885SMN1; SMN2 4273/4885GAA 4675/4885

“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.