SCHEMBL5047345

SCHEMBL5047345

CCOC(C(=O)O)c1c(F)cc(Oc2cccc(OC(F)(F)F)c2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.39
CETP P11597 4/20 0.39
FFAR1 O14842 2/20 0.39
PPARG P37231 2/20 0.38
SCN9A Q15858 3/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
CYP2C9 P11712 1/20 0.37
ACACB O00763 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
SCHEMBL5042114 0.90 ELANE (0.38) MAPK14CETPPPARGSCN9A
SCHEMBL5040650 0.87 AKR1C3 (0.46) FFAR1ACACB
SCHEMBL5045251 0.81 SMN1; SMN2 (0.46)
SCHEMBL17295975 0.79 FFAR1 (0.48) FFAR1
SCHEMBL29393863 0.79 FFAR1 (0.48) FFAR1
SCHEMBL5041275 0.78 LDHA (0.40) FFAR1PPARGPPARDPPARA
SCHEMBL5043489 0.78 F10 (0.47) MAPK14PPARGPPARA
SCHEMBL5043494 0.78 F10 (0.47) MAPK14PPARGPPARA
Hydrochloric Acid SCHEMBL5045406 0.77 F10 (0.48) MAPK14PPARGPPARA
Hydrochloric Acid SCHEMBL5045401 0.77 F10 (0.48) MAPK14PPARGPPARA

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 MAPK14 1193/4885CETP 1732/4885FFAR1 1355/4885

“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.