SCHEMBL4049992

SCHEMBL4049992

O=C(O)c1cc(-c2ccccc2F)ccc1OC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.61
DHODH Q02127 4/20 0.48
PTPN11 Q06124 1/20 0.44
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DHFR P00374 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.43
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
HMGB1 P09429 1/20 0.43
HPGD P15428 1/20 0.43
CXCL12 P48061 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL3939209 0.85 MCL1 (0.59) ACMSDDHODHPTPN11SCN9APDK2
SCHEMBL27627552 0.83 ACMSD (0.64) ACMSDDHODHPTPN11KDM4EALDH1A1
SCHEMBL4026660 0.81 ACMSD (0.55) ACMSDDHODHPTPN11DHFRAKR1C2
SCHEMBL13615053 0.81 ALOX5AP (0.48) ACMSDSCN9APDK2PTPRCPTPN1
SCHEMBL1337895 0.80 DHODH (0.51) ACMSDDHODHKDM4EKMT2A
SCHEMBL3936487 0.79 DCLRE1B (0.51) ACMSDDHODHPTPN11DHFRAKR1C2
SCHEMBL18742254 0.79 ACMSD (0.76) ACMSDDHODHKDM4EMEN1USP2
SCHEMBL14252244 0.79 ACMSD (0.76) ACMSDDHODHKDM4EMEN1USP2
SCHEMBL29360995 0.79 ACMSD (0.76) ACMSDDHODHKDM4EMEN1USP2
SCHEMBL4600951 0.78 PTPN11 (0.54) DHODHPTPN11ALDH1A1LMNAKMT2A

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 ACMSD 336/4885DHODH 3046/4885PTPN11 3348/4885

“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.