SCHEMBL13239263

SCHEMBL13239263

O=S(=O)(Oc1ccc(Br)cc1F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.41
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
APLNR P35414 3/20 0.36
SLC6A4 P31645 1/20 0.36
DGAT1 O75907 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ALPL P05186 1/20 0.36

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
SCHEMBL779828 0.82 EPAS1 (0.50) EPAS1TSHRPTGS1PTGS2
SCHEMBL31305332 0.82 EPAS1 (0.50) EPAS1TSHRPTGS1PTGS2
SCHEMBL6139736 0.81 RAB9A (0.40) EPAS1ALDH1A1LMNAPOLB
SCHEMBL6139651 0.81 TSHR (0.41) EPAS1ALDH1A1LMNAPOLBTSHR
SCHEMBL18482393 0.80 ALPL (0.44) ALPL
SCHEMBL8359389 0.79 EPAS1 (0.46) EPAS1SLC6A4PTGS1PTGS2
SCHEMBL28741529 0.79 EPAS1 (0.41) EPAS1ALDH1A1
SCHEMBL4769962 0.79 PTGDR2 (0.42) EPAS1TSHRALPL
SCHEMBL6511762 0.79 DRD2 (0.39) ALDH1A1LMNATSHRSLC6A4
SCHEMBL25353653 0.78 ALPL (0.36) EPAS1TSHRAPLNRALPL

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 4116/4885ALDH1A1 2497/4885LMNA 80/4885

“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.