SCHEMBL1500205

SCHEMBL1500205

COc1cc(=O)c2ccc(OS(=O)(=O)C(F)(F)F)cc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.54
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 6/20 0.48
TNKS O95271 2/20 0.48
CYP19A1 P11511 1/20 0.48
HSD11B1 P28845 1/20 0.47
MAOB P27338 5/20 0.47
HPGD P15428 4/20 0.44
CYP3A4 P08684 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
PPARG P37231 1/20 0.43
LMNA P02545 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
SCHEMBL1500319 0.84 EPHX2 (0.50) EPHX2ALDH1A1KDM4ETNKSCYP19A1
SCHEMBL1500139 0.81 MAOB (0.67) EPHX2ALDH1A1KDM4ETNKSCYP19A1
SCHEMBL29463590 0.80 KDM4E (0.69) EPHX2ALDH1A1KDM4EHSD11B1CYP3A4
SCHEMBL21905459 0.79 CYP19A1 (0.65) ALDH1A1KDM4ETNKSCYP19A1MAOB
SCHEMBL30301334 0.79 HSD11B1 (0.51) EPHX2ALDH1A1KDM4ECYP19A1HSD11B1
SCHEMBL1938706 0.79 HSD11B1 (0.51) EPHX2ALDH1A1KDM4ECYP19A1HSD11B1
SCHEMBL30809616 0.78 MAPT (0.72) EPHX2ALDH1A1KDM4EHSD11B1MAOB
Hydrogen Sulfide SCHEMBL6879015 0.78 KDM4E (0.55) EPHX2ALDH1A1KDM4EHSD11B1MAOB
SCHEMBL30629155 0.78 MAPT (0.72) EPHX2ALDH1A1KDM4EHSD11B1MAOB
SCHEMBL17634253 0.78 MAPT (0.72) EPHX2ALDH1A1KDM4EHSD11B1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-30 US disclosed
US-7902369-B2 Diaryl-substituted five-membered heterocycle derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative MSD K.K. (JP) 2007-07-26 US disclosed
EP-1726585-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 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 (2 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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE OPRK1, GRM1, GRIK1 EPHX2 3530/4885ALDH1A1 1200/4885KDM4E 3735/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 EPHX2 3836/4885ALDH1A1 1033/4885KDM4E 4172/4885

“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.