SCHEMBL5045085

SCHEMBL5045085

CCOC(C(=O)NCc1ccc(C(=N)N)cc1NCC(=O)OC(C)=O)c1ccc(OC)cc1F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.43
F2 P00734 6/20 0.35
PRSS1 P07477 3/20 0.35
EPHX2 P34913 6/20 0.33
PPARG P37231 1/20 0.31
TRPV1 Q8NER1 2/20 0.30

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
SCHEMBL5040940 0.92 F10 (0.43) F10F2PRSS1EPHX2PPARG
Hydrochloric Acid SCHEMBL5040931 0.92 F10 (0.45) F10F2PRSS1EPHX2PPARG
Acetic Acid SCHEMBL5045080 0.91 F10 (0.45) F10F2PRSS1EPHX2PPARG
Acetic Acid SCHEMBL5045323 0.86 F10 (0.47) F10F2PRSS1EPHX2
SCHEMBL5042045 0.86 F10 (0.48) F10F2PRSS1EPHX2
SCHEMBL5042067 0.86 F10 (0.48) F10F2PRSS1EPHX2
Hydrochloric Acid SCHEMBL5041242 0.85 F10 (0.48) F10F2PRSS1
Hydrochloric Acid SCHEMBL5041545 0.84 F10 (0.44) F10F2PRSS1EPHX2
Hydrochloric Acid SCHEMBL5042050 0.83 F10 (0.46) F10F2PRSS1
Hydrochloric Acid SCHEMBL5037845 0.83 F10 (0.56) F10F2PRSS1EPHX2PPARG

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
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP claimed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US claimed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US claimed
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 F10 8/4885F2 13/4885PRSS1 233/4885

“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.