SCHEMBL5045828

SCHEMBL5045828

CCO[C@H](C(=O)NCc1c(F)cc(C(=N)N)cc1F)c1c(F)cc(OC)cc1F

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.48
KLKB1 P03952 9/20 0.39
CHRM4 P08173 1/20 0.37
TAAR1 Q96RJ0 1/20 0.34
F2 P00734 1/20 0.34
CTSD P07339 2/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL5045820 1.00 F10 (0.48) F10KLKB1CHRM4TAAR1F2
Hydrochloric Acid SCHEMBL5037461 0.99 F10 (0.49) F10KLKB1CHRM4TAAR1F2
Hydrochloric Acid SCHEMBL5037456 0.99 F10 (0.49) F10KLKB1CHRM4TAAR1F2
Acetic Acid SCHEMBL5045592 0.88 KLKB1 (0.40) F10KLKB1CHRM4TAAR1F2
Hydrochloric Acid SCHEMBL5041921 0.86 F10 (0.53) F10F2MAPK1
Hydrochloric Acid SCHEMBL5041941 0.86 F10 (0.53) F10F2MAPK1
Acetic Acid SCHEMBL5045088 0.84 KLKB1 (0.41) F10KLKB1F2PLG
Hydrochloric Acid SCHEMBL5042443 0.82 F10 (0.66) F10F2CTSDPLGPLAU
Hydrochloric Acid SCHEMBL5042439 0.82 F10 (0.66) F10F2CTSDPLGPLAU
SCHEMBL5045662 0.82 F10 (0.36) F10CHRM4TAAR1KDM1AMAOA

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 8/4885KLKB1 216/4885CHRM4 2119/4885

“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.