SCHEMBL5040510

SCHEMBL5040510

CCOC(=O)COc1ccccc1-c1cc(F)c(C(OCC)C(=O)NCc2ccc(C(=N)N)cc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.50
F2 P00734 12/20 0.41
PRSS1 P07477 4/20 0.41
F7 P08709 3/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
KLKB1 P03952 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MASP2 O00187 1/20 0.38
PTPN1 P18031 1/20 0.38
F9 P00740 1/20 0.38
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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 SCHEMBL5040507 0.99 F10 (0.51) F10F2PRSS1F7KDM4E
SCHEMBL6448900 0.93 F10 (0.57) F10F2PRSS1F7KLKB1
SCHEMBL6448894 0.93 F10 (0.57) F10F2PRSS1F7KLKB1
SCHEMBL5038128 0.92 F10 (0.51) F10F2PRSS1F7KLKB1
Acetic Acid SCHEMBL5037783 0.91 F10 (0.55) F10F2PRSS1F7KLKB1
SCHEMBL6450163 0.90 F10 (0.49) F10F2PRSS1F7KLKB1
SCHEMBL6450171 0.90 F10 (0.49) F10F2PRSS1F7KLKB1
Hydrochloric Acid SCHEMBL5045141 0.90 F10 (0.50) F10F2PRSS1F7KLKB1
Hydrochloric Acid SCHEMBL5045149 0.90 F10 (0.50) F10F2PRSS1F7KLKB1
Hydrochloric Acid SCHEMBL5045416 0.87 F10 (0.48) F10F2PRSS1F7KDM4E

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 13/4885PRSS1 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.