SCHEMBL5043044

SCHEMBL5043044

CCOC(C(=O)NCc1ccc(/N=C/NC(=O)OCc2ccccc2)cc1)c1c(F)cc(Oc2ccc(C#N)cc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
F10 P00742 1/20 0.35
FFAR1 O14842 1/20 0.34
CTSL P07711 2/20 0.34
CTSS P25774 2/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CTSB P07858 1/20 0.34
KLKB1 P03952 1/20 0.34

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
SCHEMBL5043049 1.00 PLAU (0.37) PLAUEGLN2EGLN1F10FFAR1
SCHEMBL5041098 0.91 PLAU (0.39) PLAUF10CTSLCTSS
SCHEMBL5041095 0.91 PLAU (0.39) PLAUF10CTSLCTSS
SCHEMBL5045460 0.87 ALDH1A1 (0.40) PLAUF10
SCHEMBL5045458 0.87 ALDH1A1 (0.40) PLAUF10
SCHEMBL5043453 0.87 NPC1 (0.38) PLAUF10FFAR1
SCHEMBL5043455 0.87 NPC1 (0.38) PLAUF10FFAR1
SCHEMBL5037324 0.86 PLAU (0.46) PLAUF10
SCHEMBL5037326 0.86 PLAU (0.46) PLAUF10
SCHEMBL5045514 0.85 MAPK14 (0.38) PLAUF10PPARGPPARDPPARA

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 PLAU 115/4885EGLN2 2670/4885EGLN1 2631/4885

“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.