SCHEMBL5037594

SCHEMBL5037594

CCOC(C(=O)NCc1ccc(C(=N)NO)cc1)c1c(F)cc(-c2ccccc2/C=N\O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.38
LMNA P02545 2/20 0.35
KLKB1 P03952 2/20 0.33
PKM P14618 1/20 0.33
F2 P00734 2/20 0.32
BACE1 P56817 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
MAPK1 P28482 1/20 0.31
USP2 O75604 1/20 0.31
MASP2 O00187 1/20 0.31

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
SCHEMBL5037611 1.00 F10 (0.38) F10LMNAKLKB1PKMF2
SCHEMBL5037604 1.00 F10 (0.38) F10LMNAKLKB1PKMF2
SCHEMBL5042097 0.83 F10 (0.33) F10LMNAKLKB1PKMALDH1A1
SCHEMBL5042090 0.83 F10 (0.33) F10LMNAKLKB1PKMALDH1A1
SCHEMBL5042081 0.83 F10 (0.33) F10LMNAKLKB1PKMALDH1A1
SCHEMBL5042348 0.82 F10 (0.52) F10LMNAKLKB1F2ALDH1A1
SCHEMBL5042353 0.82 F10 (0.52) F10LMNAKLKB1F2ALDH1A1
SCHEMBL5047530 0.79 F10 (0.39) F10KLKB1PKMALDH1A1HPGD
SCHEMBL5047524 0.79 F10 (0.39) F10KLKB1PKMALDH1A1HPGD
SCHEMBL5037821 0.76 F10 (0.41) F10KLKB1F2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 8/4885LMNA 1694/4885KLKB1 216/4885

“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.