SCHEMBL5041769

SCHEMBL5041769

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.39
CYP3A4 P08684 5/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
PSMB1 P20618 1/20 0.37
ALDH1A1 P00352 4/20 0.37
CASP1 P29466 1/20 0.37
GAA P10253 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
KLKB1 P03952 1/20 0.35
TPSAB1 Q15661 2/20 0.35
PLG P00747 1/20 0.35
PRSS1 P07477 1/20 0.35
REN P00797 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
SCHEMBL5041771 1.00 PLAU (0.39) PLAUCYP3A4LMNATSHRPSMB1
SCHEMBL5037324 0.89 PLAU (0.46) PLAUCYP3A4LMNATSHRPSMB1
SCHEMBL5037326 0.89 PLAU (0.46) PLAUCYP3A4LMNATSHRPSMB1
SCHEMBL5041773 0.85 MASP2 (0.45) CYP3A4LMNATSHRALDH1A1CASP1
SCHEMBL5041098 0.84 PLAU (0.39) PLAUTSHRALDH1A1
SCHEMBL5041095 0.84 PLAU (0.39) PLAUTSHRALDH1A1
SCHEMBL5043453 0.82 NPC1 (0.38) PLAU
SCHEMBL5043455 0.82 NPC1 (0.38) PLAU
SCHEMBL5037757 0.82 PLAU (0.41) PLAUCYP3A4LMNATSHRPSMB1
SCHEMBL5037763 0.82 PLAU (0.41) PLAUCYP3A4LMNATSHRPSMB1

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 115/4885CYP3A4 1458/4885LMNA 1694/4885

“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.