SCHEMBL774918

SCHEMBL774918

CCCSc1cnc2c(OC(F)(F)F)cccc2c1O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
LITAF Q99732 1/20 0.40
PTGS2 P35354 2/20 0.36
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
F2R P25116 1/20 0.33
APLNR P35414 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 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
SCHEMBL773483 0.85 TNF (0.40) TNFLITAFPTGS2EGLN1ALDH1A1
SCHEMBL774769 0.78 TNF (0.46) TNFLITAF
SCHEMBL774356 0.77 TNF (0.45) TNFLITAF
SCHEMBL1257681 0.76 EGLN1 (0.37) PTGS2EGLN1F2RAPLNR
SCHEMBL23497117 0.68 KDM4E (0.36) TNFLITAFADORA2AADORA1
SCHEMBL2017495 0.66 MEN1 (0.61) TP53MAPT
SCHEMBL20714921 0.65 PTGS2 (0.59) PTGS2
SCHEMBL437620 0.64 ALOX5AP (0.38) TNFLITAFADORA2AADORA1
SCHEMBL437559 0.64 HAVCR2 (0.40) TNFLITAFHPGDADORA2AADORA1
SCHEMBL30242047 0.64 TNF (0.45) TNFLITAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071505-A1 SUBSTITUTED PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TO TREAT OXIDATIVE STRESS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-03-22 US disclosed
WO-2011022216-A1 SUBSTITUTED PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TO TREAT OXIDATIVE STRESS HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-24 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-20120071505-A1 SUBSTITUTED PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TO TREAT OXIDATIVE STRESS HMOX2, HMOX1, MPO TNF 413/4885LITAF 148/4885PTGS2 16/4885

“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.