SCHEMBL3944259

SCHEMBL3944259

CS(=O)(=O)NCc1cccc(-c2ccc(OC(F)(F)F)c(C(=O)O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PTPN11 Q06124 2/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
BRD4 O60885 1/20 0.43
LIPG Q9Y5X9 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
IGF1R P08069 1/20 0.42
MET P08581 1/20 0.42
SRC P12931 1/20 0.42
KMT2A Q03164 1/20 0.40
ACMSD Q8TDX5 3/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
DHODH Q02127 1/20 0.39
GLS O94925 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3943766 0.84 SYK (0.48) PTPN11LIPGACMSDKDM5AKDM4C
SCHEMBL4038391 0.81 ACMSD (0.60) PTPN11ACMSDDHODHCFD
SCHEMBL4040652 0.81 KIF11 (0.55) BRD4POLB
SCHEMBL4026660 0.77 ACMSD (0.55) PTPN11ACMSDDHODHCFDIGF2BP2
SCHEMBL3936487 0.75 DCLRE1B (0.51) PTPN11ACMSDDHODHCFDIGF2BP2
SCHEMBL3944255 0.75 ACMSD (0.45) PTPN11ACMSDDHODHCFDIGF2BP2
SCHEMBL4045995 0.75 ROCK2 (0.40) PTPN11DHODHCFD
SCHEMBL3946906 0.74 MAPK1 (0.42) PTPN11KMT2ACFD
SCHEMBL4042656 0.74 PTPN11 (0.51) PTPN11CFDIGF2BP2
SCHEMBL3946016 0.74 KDM4E (0.53) DHODHKDM4EPOLBCFD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US claimed
WO-2009016253-A2 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO claimed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP claimed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
WO-2009016253-A2 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP 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-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES FSHR, GNRHR, HNMT SLC6A2 483/4885SLC6A4 334/4885SLC6A3 1485/4885

“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.