SCHEMBL5045462

SCHEMBL5045462

CCOC(C(=O)NCc1ccc(C(=N)NC(=O)OCc2ccccc2)cc1)c1c(F)cc(Oc2ccc(OC)c(OC)c2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.44
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 5/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
MASP2 O00187 3/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
F7 P08709 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSD P07339 4/20 0.39
LMNA P02545 1/20 0.39
HCRTR2 O43614 1/20 0.38

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
SCHEMBL5041100 0.93 MASP2 (0.43) F10ALDH1A1CYP3A4MASP2CYP1A2
SCHEMBL5043460 0.91 MASP2 (0.42) F10ALDH1A1CYP3A4MAPTTP53
SCHEMBL5043052 0.87 MASP2 (0.42) F10MASP2
SCHEMBL6068687 0.86 MAPK14 (0.43) F10CYP3A4MASP2TSHRLMNA
SCHEMBL5037329 0.86 MASP2 (0.47) F10ALDH1A1CYP3A4MASP2F2
SCHEMBL6068661 0.85 MASP2 (0.40) F10ALDH1A1CYP3A4MASP2TSHR
SCHEMBL6451758 0.85 F10 (0.50) F10F2PRSS1F7MAPK1
SCHEMBL6451726 0.85 F10 (0.50) F10F2PRSS1F7MAPK1
SCHEMBL5045458 0.85 ALDH1A1 (0.40) F10ALDH1A1CYP3A4MAPTTP53
SCHEMBL5045460 0.85 ALDH1A1 (0.40) F10ALDH1A1CYP3A4MAPTTP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 519/4885CYP3A4 1458/4885

“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.