SCHEMBL1034046

SCHEMBL1034046

CCCc1c(C=O)sc2cc(C(F)(F)F)ccc12

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.33
KIF11 P52732 2/20 0.33
DYRK1A Q13627 2/20 0.33
EPHX2 P34913 1/20 0.33
SCN4A P35499 1/20 0.33
CSNK1D P48730 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
MAPT P10636 1/20 0.31
PPARA Q07869 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1034624 0.92 RORA (0.34) GSK3BDYRK1AEPHX2SCN4ACSNK1D
SCHEMBL1030697 0.83 PTGER1 (0.34) KIF11DYRK1AEPHX2SCN4ACSNK1D
SCHEMBL718341 0.79 MEN1 (0.39) KIF11DYRK1AEPHX2SCN4ACSNK1D
SCHEMBL1033037 0.77 NPY1R (0.36) GSK3BKIF11DYRK1AEPHX2SCN4A
SCHEMBL12095416 0.75 KDM4E (0.40) MAPTMEN1KMT2A
SCHEMBL1034047 0.75 KIF11 (0.36) KIF11DYRK1AEPHX2SCN4AHRH4
SCHEMBL1035265 0.74 ESR1 (0.35) HSD17B1HSD17B2
SCHEMBL1031697 0.74 ALDH1A1 (0.44) GSK3BDYRK1ACSNK1DMAPTPPARA
SCHEMBL4655158 0.72 ESR1 (0.43) DYRK1APPARAMEN1KMT2A
SCHEMBL4655160 0.72 ESR1 (0.43) DYRK1APPARAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424917-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2019-01-09 EP disclosed
EP-2277874-B1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR NIPPON CHEMIPHAR CO (JP) 2018-06-27 EP disclosed
US-8648208-B2 Activating agent for peroxisome proliferator activated receptor NIPPON CHEMIPHAR CO. LTD. (JP) 2014-02-11 US disclosed
US-20110098480-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR NIPPON CHEMIPHAR CO. LTD. (JP) 2011-04-28 US disclosed
EP-2277874-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2011-01-26 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 (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-20110098480-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR PPARA, PPARG, PPARD GSK3B 4080/4885KIF11 3991/4885DYRK1A 4451/4885

“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.