SCHEMBL3105403

SCHEMBL3105403

Cc1ccc(COc2cc(C=NOCC(=O)O)cc(OCc3ccc(C)cc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.50
PPARD Q03181 4/20 0.50
PPARA Q07869 4/20 0.50
FFAR1 O14842 4/20 0.50
GPR55 Q9Y2T6 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MAOB P27338 5/20 0.47
MAOA P21397 2/20 0.47
SPHK2 Q9NRA0 2/20 0.43
SPHK1 Q9NYA1 2/20 0.43
LMNA P02545 1/20 0.43
PARP10 Q53GL7 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 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
SCHEMBL3105387 1.00 PPARG (0.50) PPARGPPARDPPARAFFAR1GPR55
SCHEMBL3118799 0.88 FFAR1 (0.48) PPARGPPARDPPARAFFAR1GPR55
SCHEMBL3099584 0.88 FFAR1 (0.47) PPARGPPARDPPARAFFAR1GPR55
SCHEMBL3118813 0.88 FFAR1 (0.48) PPARGPPARDPPARAFFAR1GPR55
SCHEMBL3099593 0.88 FFAR1 (0.47) PPARGPPARDPPARAFFAR1GPR55
SCHEMBL3097532 0.87 MAOB (0.52) PPARGPPARDPPARAFFAR1GPR55
SCHEMBL3097545 0.87 MAOB (0.52) PPARGPPARDPPARAFFAR1GPR55
SCHEMBL3109982 0.87 GPR55 (0.54) PPARGPPARDPPARAFFAR1GPR55
SCHEMBL3109977 0.87 GPR55 (0.54) PPARGPPARDPPARAFFAR1GPR55
SCHEMBL3113435 0.85 SMN1; SMN2 (0.59) PPARGPPARDPPARAFFAR1NPC1

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 PPARG 284/4885PPARD 447/4885PPARA 276/4885
US-20060247298-A1 Substituted acetic acid derivatives AADAC, ACACA, AANAT PPARG 284/4885PPARD 447/4885PPARA 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.