SCHEMBL5037795

SCHEMBL5037795

CCOC(C(=O)NCc1ccc(C(=N)N)cc1)c1ccc(OC)c(OCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.55
PRSS1 P07477 9/20 0.55
F7 P08709 9/20 0.55
F10 P00742 9/20 0.55
MAPK1 P28482 1/20 0.47
PROC P04070 1/20 0.46
PRSS2 P07478 2/20 0.44
F3 P13726 2/20 0.44
PRSS3 P35030 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MRGPRX1 Q96LB2 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
NR1H4 Q96RI1 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41

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
Hydrochloric Acid SCHEMBL5038022 0.93 F2 (0.53) F2PRSS1F7F10MAPK1
Hydrochloric Acid SCHEMBL5038024 0.93 F2 (0.53) F2PRSS1F7F10MAPK1
SCHEMBL5038211 0.91 F2 (0.51) F2PRSS1F7F10MAPK1
Hydrochloric Acid SCHEMBL5038201 0.90 F2 (0.51) F2PRSS1F7F10MAPK1
Hydrochloric Acid SCHEMBL5045503 0.84 PRSS1 (0.53) F2PRSS1F7F10PROC
SCHEMBL5041226 0.84 F2 (0.53) F2PRSS1F7F10MAPK1
Hydrochloric Acid SCHEMBL5045510 0.84 PRSS1 (0.53) F2PRSS1F7F10PROC
Hydrochloric Acid SCHEMBL5041219 0.83 PRSS1 (0.52) F2PRSS1F7F10PROC
Hydrochloric Acid SCHEMBL5041783 0.79 TPSAB1 (0.54) F2PRSS1F7F10ST14
Hydrochloric Acid SCHEMBL5041779 0.79 TPSAB1 (0.54) F2PRSS1F7F10ST14

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 F2 13/4885PRSS1 233/4885F7 1/4885

“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.