SCHEMBL5045548

SCHEMBL5045548

CCOC(C(=O)NCc1ccc(C(=N)N)cc1)c1c(F)cc(-c2cccc(OCC(=O)O)c2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.48
F2 P00734 10/20 0.43
FFAR1 O14842 3/20 0.43
PPARD Q03181 3/20 0.43
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
F7 P08709 3/20 0.41
MASP2 O00187 2/20 0.41
PRSS1 P07477 2/20 0.41
KLKB1 P03952 1/20 0.40
F3 P13726 1/20 0.39
PPARA Q07869 1/20 0.39
PROC P04070 1/20 0.39

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
SCHEMBL6450134 0.94 F10 (0.54) F10F2F7MASP2PRSS1
SCHEMBL6450145 0.94 F10 (0.54) F10F2F7MASP2PRSS1
Hydrochloric Acid SCHEMBL5045259 0.93 F10 (0.55) F10F2F7MASP2PRSS1
Hydrochloric Acid SCHEMBL5045242 0.93 F10 (0.55) F10F2F7MASP2PRSS1
SCHEMBL5040733 0.92 F10 (0.47) F10F2F7MASP2PRSS1
Hydrochloric Acid SCHEMBL5040724 0.91 F10 (0.48) F10F2F7MASP2PRSS1
SCHEMBL6450416 0.91 F10 (0.47) F10F2F7MASP2PRSS1
SCHEMBL6450419 0.91 F10 (0.47) F10F2F7MASP2PRSS1
Hydrochloric Acid SCHEMBL5045230 0.90 F10 (0.48) F10F2F7MASP2PRSS1
Hydrochloric Acid SCHEMBL5045238 0.90 F10 (0.48) F10F2F7MASP2PRSS1

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 8/4885F2 13/4885FFAR1 1355/4885

“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.