SCHEMBL3101529

SCHEMBL3101529

O=C(O)CON=Cc1cccc(-c2cccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.45
NR4A2 P43354 2/20 0.45
PPARA Q07869 2/20 0.44
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
ADCYAP1R1 P41586 2/20 0.43
PTPN1 P18031 2/20 0.43
PTPRC P08575 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
HIF1A Q16665 1/20 0.42
MAOB P27338 2/20 0.42
FFAR1 O14842 5/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MAOA P21397 1/20 0.41
PTPN6 P29350 1/20 0.41

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
SCHEMBL3101525 1.00 PPARD (0.45) PPARDNR4A2PPARASPHK2SPHK1
SCHEMBL3108745 0.93 PPARD (0.49) PPARDNR4A2PPARAPTPN1PTPRC
SCHEMBL3108834 0.93 NR4A2 (0.54) PPARDNR4A2SPHK2SPHK1ADCYAP1R1
SCHEMBL3108738 0.93 PPARD (0.49) PPARDNR4A2PPARAPTPN1PTPRC
SCHEMBL3108828 0.93 NR4A2 (0.54) PPARDNR4A2SPHK2SPHK1ADCYAP1R1
SCHEMBL3109233 0.93 PPARD (0.53) PPARDNR4A2PPARAFFAR1FFAR4
SCHEMBL3109227 0.93 PPARD (0.53) PPARDNR4A2PPARAFFAR1FFAR4
SCHEMBL3108648 0.92 SPHK2 (0.52) PPARDPPARASPHK2SPHK1PTPN1
SCHEMBL3108652 0.92 SPHK2 (0.52) PPARDPPARASPHK2SPHK1PTPN1
SCHEMBL3109244 0.86 NR4A2 (0.53) PPARDNR4A2SPHK2SPHK1ADCYAP1R1

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-20080312308-A1 SUBSTITUTED ACETIC ACID DERIVATIVES WYETH (US) 2008-12-18 US claimed
US-20060247298-A1 Substituted acetic acid derivatives WYETH (US) 2006-11-02 US claimed
US-7803835-B2 Substituted acetic acid derivatives WYETH LLC (US) 2010-09-28 US disclosed
US-20080312308-A1 SUBSTITUTED ACETIC ACID DERIVATIVES WYETH (US) 2008-12-18 US disclosed
US-7411083-B2 Substituted acetic acid derivatives WYETH (US) 2008-08-12 US disclosed
US-20060247298-A1 Substituted acetic acid derivatives WYETH (US) 2006-11-02 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 (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-20080312308-A1 SUBSTITUTED ACETIC ACID DERIVATIVES AADAC, ACACA, AANAT PPARD 447/4885NR4A2 2770/4885PPARA 276/4885
US-20060247298-A1 Substituted acetic acid derivatives AADAC, ACACA, AANAT PPARD 447/4885NR4A2 2770/4885PPARA 276/4885

“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.