SCHEMBL5041931

SCHEMBL5041931

Cc1ccc(F)c(COCC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.40
PTGS2 P35354 3/20 0.39
ABCB11 O95342 1/20 0.39
PTGS1 P23219 1/20 0.39
PPARG P37231 1/20 0.39
NR1I3 Q14994 1/20 0.39
SRC P12931 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
FFAR1 O14842 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARD Q03181 1/20 0.37
RAB9A P51151 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
SCHEMBL13886113 0.83 TACR1 (0.48) TSHRPTGDR2SRCFFAR1KDM4E
SCHEMBL2349186 0.81 FFAR4 (0.50) FFAR1PPARD
SCHEMBL5041564 0.81 PTGDR2 (0.49) TSHRPTGDR2RAB9A
SCHEMBL13886115 0.80 TSHR (0.44) TSHRPTGDR2SRCMRGPRX4KDM4E
SCHEMBL5041166 0.78 IDO1 (0.56) PTGDR2PPARGMRGPRX4FFAR1PPARD
SCHEMBL29467934 0.78 SRC (0.54) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL868718 0.78 SRC (0.54) PTGS2ABCB11PTGS1PPARGNR1I3
SCHEMBL13315836 0.77 CSNK2A1 (0.47) TSHRPTGDR2PPARGSRCKDM4E
SCHEMBL13034141 0.77 ALDH1A1 (0.51) PTGS2KDM4ERAB9A
SCHEMBL5037414 0.76 ALDH1A1 (0.53) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 TSHR 2403/4885PTGDR2 3438/4885PTGS2 3734/4885

“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.