SCHEMBL13239271

SCHEMBL13239271

O=S(=O)(Oc1ccc(-c2ccc(Cl)cc2)cc1F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.39
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
KIF11 P52732 6/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
STS P08842 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
ACLY P53396 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL8359389 0.87 EPAS1 (0.46) EPAS1PPARGPPARA
SCHEMBL17694914 0.84 PTGS2 (0.42)
SCHEMBL13239262 0.83 PTGS2 (0.39) EPAS1
SCHEMBL2255800 0.79 RXRA (0.52)
SCHEMBL20061708 0.79 RARB (0.43) KIF11
SCHEMBL17287535 0.79 CA1 (0.52) PPARGPPARAKIF11ADORA2AADORA1
SCHEMBL31305332 0.77 EPAS1 (0.50) EPAS1
SCHEMBL779828 0.77 EPAS1 (0.50) EPAS1
SCHEMBL27517450 0.77 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL3857962 0.77 ACLY (0.43) KIF11STSACLYADORA2AADORA1

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-7754103-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-07-13 US disclosed
US-7732021-B2 Liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-06-08 US disclosed
US-7635505-B2 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2009-12-22 US disclosed
US-20090194738-A1 Liquid-crystalline medium MANABE ATSUTAKA 2009-08-06 US disclosed
US-20080277623-A1 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2008-11-13 US disclosed
US-20080128653-A1 Liquid Crystalline Medium MERCK PATENT GMBH (DE) 2008-06-05 US 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-20080277623-A1 Liquid Crystalline Medium CHRM1, NEFM, CCNT1 EPAS1 4116/4885PPARG 3159/4885PPARA 3190/4885

“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.