SCHEMBL5037324

SCHEMBL5037324

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.46
TPSAB1 Q15661 4/20 0.37
PRSS1 P07477 4/20 0.37
PLG P00747 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
F10 P00742 1/20 0.36
CYP3A4 P08684 4/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.36
PSMB1 P20618 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CASP1 P29466 1/20 0.36
PRSS2 P07478 1/20 0.35
PRSS3 P35030 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
SCHEMBL5037326 1.00 PLAU (0.46) PLAUTPSAB1PRSS1PLGHDAC3
SCHEMBL5037763 0.89 PLAU (0.41) PLAUTPSAB1PRSS1PLGHDAC3
SCHEMBL5037757 0.89 PLAU (0.41) PLAUTPSAB1PRSS1PLGHDAC3
SCHEMBL5041771 0.89 PLAU (0.39) PLAUTPSAB1PRSS1PLGHDAC3
SCHEMBL5041095 0.89 PLAU (0.39) PLAUF10TSHRALDH1A1
SCHEMBL5041098 0.89 PLAU (0.39) PLAUF10TSHRALDH1A1
SCHEMBL5041769 0.89 PLAU (0.39) PLAUTPSAB1PRSS1PLGHDAC3
SCHEMBL5043455 0.88 NPC1 (0.38) PLAUF10
SCHEMBL5043453 0.88 NPC1 (0.38) PLAUF10
SCHEMBL5045458 0.86 ALDH1A1 (0.40) PLAUF10CYP3A4TSHRALDH1A1

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 115/4885TPSAB1 24/4885PRSS1 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.