SCHEMBL1194707

SCHEMBL1194707

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCOCC3)cc(S(F)(F)(F)(F)F)c1)C2

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.66
SMN1; SMN2 Q16637 6/20 0.35
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 5/20 0.33
LMNA P02545 3/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1194387 0.93 F2R (0.56) F2RSMN1; SMN2KMT2AKDM4EMAPT
SCHEMBL12878401 0.86 F2R (0.52) F2RKDM4EPOLBMAPT
SCHEMBL1193970 0.85 F2R (0.56) F2RSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL1193870 0.85 F2R (0.56) F2RSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL1193916 0.85 F2R (0.56) F2RSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL1194979 0.84 F2R (0.59) F2RSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3455508 0.84 F2R (0.55) F2RSMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL12878354 0.83 F2R (0.54) F2RSMN1; SMN2KDM4EMAPT
SCHEMBL1194037 0.82 F2R (0.52) F2RKDM4EMAPTLMNATDP1
SCHEMBL1193965 0.81 F2R (0.54) F2RKMT2AKDM4EMEN1MAPT

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 11 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 claimed
EP-2242740-B1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI SA (FR) 2012-12-12 EP claimed
US-20110034461-A1 SF5 DERIVATIVES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 US claimed
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 4273/4885ALDH1A1 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.