SCHEMBL3105508

SCHEMBL3105508

O=C(O)CON=Cc1cccc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.56
PPARA Q07869 3/20 0.56
FFAR1 O14842 8/20 0.53
GPR34 Q9UPC5 1/20 0.49
BCL2L1 Q07817 1/20 0.49
MCL1 Q07820 1/20 0.49
PTPN1 P18031 3/20 0.48
PTPN2 P17706 2/20 0.48
PTPN6 P29350 2/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47

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
SCHEMBL3105501 1.00 PPARD (0.56) PPARDPPARAFFAR1GPR34BCL2L1
SCHEMBL3108648 0.93 SPHK2 (0.52) PPARDPPARAFFAR1BCL2L1MCL1
SCHEMBL3108652 0.93 SPHK2 (0.52) PPARDPPARAFFAR1BCL2L1MCL1
SCHEMBL3109233 0.92 PPARD (0.53) PPARDPPARAFFAR1GPR34
SCHEMBL3109227 0.92 PPARD (0.53) PPARDPPARAFFAR1GPR34
SCHEMBL3113415 0.91 NR4A2 (0.54) PPARDPPARAFFAR1GPR34SPHK2
SCHEMBL3113405 0.91 NR4A2 (0.54) PPARDPPARAFFAR1GPR34SPHK2
SCHEMBL3110246 0.90 PPARD (0.51) PPARDPPARAFFAR1GPR34BCL2L1
SCHEMBL3110254 0.90 PPARD (0.51) PPARDPPARAFFAR1GPR34BCL2L1
SCHEMBL3105038 0.90 NR4A2 (0.48) PPARDPPARAFFAR1SPHK2SPHK1

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 447/4885PPARA 276/4885FFAR1 249/4885
US-20060247298-A1 Substituted acetic acid derivatives AADAC, ACACA, AANAT PPARD 447/4885PPARA 276/4885FFAR1 249/4885

“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.