SCHEMBL5042353

SCHEMBL5042353

CCO[C@H](C(=O)NCc1ccc(C(=N)NO)cc1)c1c(F)cc(-c2ccccc2OCC(N)=O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.52
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
F2 P00734 3/20 0.36
PRSS1 P07477 2/20 0.36
F7 P08709 2/20 0.36
KLKB1 P03952 3/20 0.35
CARM1 Q86X55 2/20 0.35
PRMT6 Q96LA8 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 2/20 0.34
F9 P00740 1/20 0.34
PLAU P00749 1/20 0.34
PPARG P37231 1/20 0.34
MAPT P10636 1/20 0.34
DHODH Q02127 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL5042348 1.00 F10 (0.52) F10ALDH1A1HTTLMNAF2
SCHEMBL6448894 0.93 F10 (0.57) F10ALDH1A1HTTLMNAF2
SCHEMBL6448900 0.93 F10 (0.57) F10ALDH1A1HTTLMNAF2
Acetic Acid SCHEMBL5037783 0.91 F10 (0.55) F10ALDH1A1HTTLMNAF2
SCHEMBL5038128 0.87 F10 (0.51) F10ALDH1A1HTTLMNAF2
SCHEMBL5040510 0.86 F10 (0.50) F10ALDH1A1HTTLMNAF2
SCHEMBL6450163 0.85 F10 (0.49) F10ALDH1A1HTTLMNAF2
SCHEMBL6450171 0.85 F10 (0.49) F10ALDH1A1HTTLMNAF2
Hydrochloric Acid SCHEMBL5040507 0.85 F10 (0.51) F10ALDH1A1HTTLMNAF2
Hydrochloric Acid SCHEMBL5045149 0.85 F10 (0.50) F10ALDH1A1HTTLMNAF2

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 8/4885ALDH1A1 519/4885HTT 4688/4885

“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.