SCHEMBL5846797

SCHEMBL5846797

Nc1ccc2c(c1)CC[C@@H](C(=O)O)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 6/20 0.44
CYP4A11 Q02928 6/20 0.44
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYSLTR1 Q9Y271 2/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
TBXAS1 P24557 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL4672065 1.00 CYP4F2 (0.44) CYP4F2CYP4A11PPARGPPARAHDAC3
SCHEMBL4672071 1.00 CYP4F2 (0.44) CYP4F2CYP4A11PPARGPPARAHDAC3
SCHEMBL4672067 0.89 CYP4F2 (0.45) CYP4F2CYP4A11HDAC3HDAC1HDAC2
SCHEMBL8901622 0.88 PPARG (0.43) CYP4F2CYP4A11PPARGPPARAHDAC3
SCHEMBL8901614 0.88 PPARG (0.43) CYP4F2CYP4A11PPARGPPARAHDAC3
SCHEMBL8901618 0.88 PPARG (0.43) CYP4F2CYP4A11PPARGPPARAHDAC3
SCHEMBL3767277 0.84 SMN1; SMN2 (0.45) NFKB1NFKB2RELACASP1CASP7
SCHEMBL4193774 0.83 ESR1 (0.56) CYP4F2CYP4A11PPARGPPARANFKB1
SCHEMBL7290410 0.83 ESR1 (0.56) CYP4F2CYP4A11PPARGPPARANFKB1
SCHEMBL5848098 0.82 CYP4F2 (0.52) CYP4F2CYP4A11PPARGPPARAHDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
WO-2005023799-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-03-17 WO disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 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-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 CYP4F2 367/4885CYP4A11 742/4885PPARG 587/4885

“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.