SCHEMBL2176934

SCHEMBL2176934

COc1cc(C(F)(F)F)c(CC2SC(=O)NC2=O)cc1CNC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.53
CA2 P00918 1/20 0.48
PPARD Q03181 5/20 0.46
PPARA Q07869 5/20 0.46
PPARG P37231 3/20 0.46
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL6498811 0.85 HPGD (0.48) EPHX2CA2ROCK2ROCK1MAPT
SCHEMBL6506168 0.79 PPARD (0.61) PPARDPPARAPPARGPTPN1
SCHEMBL305177 0.77 PTPN1 (0.49) EPHX2CA2PPARDPPARAPPARG
SCHEMBL8821819 0.76 EPHX2 (0.57) EPHX2PPARG
SCHEMBL6502341 0.76 EPHX2 (0.44) EPHX2PPARGMAPTTP53
SCHEMBL9943344 0.75 P2RX7 (0.43) EPHX2CA2PPARGROCK2ROCK1
SCHEMBL6504802 0.74 HTT (0.55) CA2PPARGROCK2ROCK1MAPT
SCHEMBL6496500 0.74 HPGD (0.53) CA2PPARDPPARAPPARGROCK2
SCHEMBL6506747 0.73 CA2 (0.48) CA2PPARGROCK2ROCK1MAPT
SCHEMBL6502439 0.73 PPARD (0.61) PPARDPPARAPPARGPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11007162-B2 Methods of reducing small, dense LDL particles CYMABAY THERAPEUTICS, INC. (US) 2021-05-18 US disclosed
US-20190298672-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES CYMABAY THERAPEUTICS, INC. (US) 2019-10-03 US disclosed
US-20160324811-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES CYMABAY THERAPEUTICS, INC. (US) 2016-11-10 US disclosed
EP-2346498-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES Metabolex Inc. (US) 2011-07-27 EP disclosed
US-20100152295-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES METABOLEX INC. (US) 2010-06-17 US disclosed
WO-2010045361-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES METABOLEX, INC. (US) 2010-04-22 WO disclosed
US-7301050-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICAL N.V. (BE) 2007-11-27 US disclosed
US-20050124698-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs CYMABAY THERAPEUTICS, INC. 2005-06-09 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 (5 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-20160324811-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES LDLR, APOB, HDLBP EPHX2 3889/4885CA2 4567/4885PPARD 345/4885
US-20190298672-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES LDLR, APOB, HDLBP EPHX2 3889/4885CA2 4567/4885PPARD 345/4885
US-20050124698-A1 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD EPHX2 2467/4885CA2 2857/4885PPARD 3/4885
US-11007162-B2 Methods of reducing small, dense LDL particles LDLR, APOB, HDLBP EPHX2 3889/4885CA2 4567/4885PPARD 345/4885
US-20100152295-A1 METHODS OF REDUCING SMALL, DENSE LDL PARTICLES LDLR, APOB, HDLBP EPHX2 3889/4885CA2 4567/4885PPARD 345/4885

“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.