SCHEMBL5043052

SCHEMBL5043052

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 4/20 0.42
F10 P00742 1/20 0.40
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
KLKB1 P03952 2/20 0.37
S1PR4 O95977 1/20 0.36
S1PR3 Q99500 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL5041100 0.91 MASP2 (0.43) MASP2F10KLKB1PPARGPPARA
SCHEMBL5045462 0.87 F10 (0.44) MASP2F10
SCHEMBL5043460 0.87 MASP2 (0.42) MASP2F10KLKB1S1PR3
SCHEMBL5037329 0.86 MASP2 (0.47) MASP2F10KLKB1
SCHEMBL5045182 0.86 SLC1A3 (0.41) F10SCN5ASCN9AKLKB1PPARG
SCHEMBL5045183 0.86 SLC1A3 (0.41) F10SCN5ASCN9AKLKB1PPARG
SCHEMBL5043044 0.85 PLAU (0.37) F10KLKB1PPARGPPARAEGLN2
SCHEMBL5043049 0.85 PLAU (0.37) F10KLKB1PPARGPPARAEGLN2
SCHEMBL6068687 0.85 MAPK14 (0.43) MASP2F10KLKB1PPARGPPARA
SCHEMBL6068661 0.84 MASP2 (0.40) MASP2F10KLKB1

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 3 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
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US 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 MASP2 370/4885F10 8/4885SCN5A 2957/4885

“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.