SCHEMBL3893253

SCHEMBL3893253

COCOc1ccc(Cc2c(C)cc(N(CO[PH](C)=O)C(=O)OCc3ccccc3)cc2C)cc1Cc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.37
OPRK1 P41145 6/20 0.34
PPARA Q07869 1/20 0.34
PTGER1 P34995 3/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TBXA2R P21731 1/20 0.31
PTGIR P43119 1/20 0.31
PTGDR Q13258 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 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
SCHEMBL3160775 0.85 PTGDR2 (0.37) PTGDR2OPRK1PPARAPTGER1OPRM1
SCHEMBL4214479 0.83 PTGDR2 (0.37) PTGDR2OPRK1PPARAPTGER1OPRM1
SCHEMBL3149063 0.78 MGLL (0.46) PTGDR2OPRK1PTGER1OPRM1OPRD1
SCHEMBL3158226 0.74 PPARA (0.41) PPARAPTGER1
SCHEMBL3155899 0.74 OPRK1 (0.39) OPRK1PTGER1OPRM1OPRD1
SCHEMBL282460 0.73 OPRK1 (0.48) OPRK1OPRM1OPRD1
SCHEMBL4349131 0.72 EGFR (0.42) OPRK1PTGER1OPRM1OPRD1
SCHEMBL3149305 0.72 ATM (0.40) PTGER1MEN1KMT2A
SCHEMBL4962703 0.71 PTGS1 (0.34) OPRK1PTGER1OPRM1OPRD1
SCHEMBL4213025 0.71 PTGER1 (0.35) OPRK1PPARAPTGER1OPRM1OPRD1

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-7514419-B2 Phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. (US) 2009-04-07 US disclosed
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed
US-20060046980-A1 Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS, INC. 2006-03-02 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-20060046980-A1 Novel phosphorus-containing thyromimetics PYGL, THRA, THOP1 PTGDR2 889/4885OPRK1 2455/4885PPARA 141/4885

“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.