SCHEMBL3109982

SCHEMBL3109982

CC(C)(C)c1ccc(COc2cc(C=NOCC(=O)O)cc(OCc3ccc(C(C)(C)C)cc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.54
NR4A2 P43354 2/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
LMNA P02545 3/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
RECQL P46063 1/20 0.47
PPARD Q03181 5/20 0.47
PPARA Q07869 5/20 0.47
PPARG P37231 4/20 0.47
FFAR1 O14842 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SPHK2 Q9NRA0 2/20 0.46
SPHK1 Q9NYA1 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL3109977 1.00 GPR55 (0.54) GPR55NR4A2RXRARXRBLMNA
SCHEMBL3112231 0.88 PPARA (0.50) GPR55PPARDPPARAPPARGFFAR1
SCHEMBL3112222 0.88 PPARA (0.50) GPR55PPARDPPARAPPARGFFAR1
SCHEMBL3105403 0.87 PPARG (0.50) GPR55LMNAPPARDPPARAPPARG
SCHEMBL3105387 0.87 PPARG (0.50) GPR55LMNAPPARDPPARAPPARG
SCHEMBL3115382 0.86 NR4A2 (0.54) GPR55NR4A2RXRARXRBLMNA
SCHEMBL3115372 0.86 NR4A2 (0.54) GPR55NR4A2RXRARXRBLMNA
SCHEMBL3099593 0.84 FFAR1 (0.47) GPR55NR4A2LMNARECQLPPARD
SCHEMBL3099584 0.84 FFAR1 (0.47) GPR55NR4A2LMNARECQLPPARD
SCHEMBL3118799 0.84 FFAR1 (0.48) GPR55RXRARXRBPPARDPPARA

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 GPR55 2239/4885NR4A2 2770/4885RXRA 589/4885
US-20060247298-A1 Substituted acetic acid derivatives AADAC, ACACA, AANAT GPR55 2239/4885NR4A2 2770/4885RXRA 589/4885

“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.