SCHEMBL774769

SCHEMBL774769

CCCSc1cnc2c(OC(F)(F)F)cccc2c1NC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.46
LITAF Q99732 2/20 0.46
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
HSD11B1 P28845 1/20 0.34
GALR2 O43603 1/20 0.33
GALR1 P47211 1/20 0.33
EPM2A O95278 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN3 P26045 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN7 P35236 1/20 0.32
DUSP3 P51452 1/20 0.32

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
SCHEMBL774356 0.99 TNF (0.45) TNFLITAFGABBR2GABBR1CA12
SCHEMBL774927 0.81 TNF (0.45) TNFLITAFGABBR2GABBR1CA12
SCHEMBL774734 0.80 TNF (0.45) TNFLITAFGABBR2GABBR1CA12
SCHEMBL2019790 0.79 PDE4B (0.54)
SCHEMBL774918 0.78 TNF (0.40) TNFLITAF
SCHEMBL773483 0.78 TNF (0.40) TNFLITAF
SCHEMBL775697 0.69 ACHE (0.42)
SCHEMBL773988 0.69 ACHE (0.41)
SCHEMBL2018427 0.65 KDM4E (0.60)
SCHEMBL1257681 0.65 EGLN1 (0.37)

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 148/4885GABBR2 3081/4885

“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.