SCHEMBL3989322

SCHEMBL3989322

CCOC(=O)C(Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.55
PPARG P37231 3/20 0.51
EPHX2 P34913 1/20 0.51
LDHA P00338 1/20 0.49
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
PPARA Q07869 2/20 0.46
CPA1 P15085 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
CCR6 P51684 1/20 0.45
HKDC1 Q2TB90 1/20 0.45

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
SCHEMBL7436472 0.93 MMP8 (0.54) MMP8PPARGEPHX2LDHAALDH1A1
SCHEMBL2429506 0.89 PPARG (0.50) MMP8PPARGEPHX2ALDH1A1TP53
SCHEMBL3784871 0.87 PPARG (0.49) MMP8PPARGEPHX2ALDH1A1TP53
SCHEMBL5748807 0.86 EPHX2 (0.54) MMP8PPARGEPHX2ALDH1A1MAPT
SCHEMBL5802386 0.85 MMP8 (0.56) MMP8LDHAALDH1A1TP53PPARA
SCHEMBL5887753 0.85 LDHA (0.54) PPARGLDHAPPARACPA1KMT2A
SCHEMBL467987 0.84 MMP8 (0.73) MMP8PPARGEPHX2LDHAALDH1A1
SCHEMBL1312803 0.84 MMP8 (0.62) MMP8PPARGEPHX2LDHAALDH1A1
SCHEMBL25403051 0.83 MMP8 (0.55) MMP8PPARGEPHX2LDHAALDH1A1
SCHEMBL15000159 0.83 EPHX2 (0.46) MMP8PPARGEPHX2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553969-B1 Substituted phenethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
US-7553969-B1 Substituted phenethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed
US-7026335-B2 Melanocortin receptor ligands THE PROCTER & GAMBLE CO. (US) 2006-04-11 US disclosed
US-20050171158-A1 Melanocortin receptor ligands EBETINO FRANK H (US) 2005-08-04 US disclosed
EP-1499588-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2005-01-26 EP disclosed
US-20030236230-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2003-12-25 US disclosed
WO-2003093234-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2003-11-13 WO disclosed
EP-1149843-A1 SUBSTITUTED PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-10-31 EP 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-20050171158-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R MMP8 4859/4885PPARG 914/4885EPHX2 1759/4885
US-20030236230-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R MMP8 4875/4885PPARG 1081/4885EPHX2 1579/4885

“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.