SCHEMBL5047588

SCHEMBL5047588

CCOC(C(=O)NCc1ccc(C#N)cc1OCc1ncon1)c1c(F)cc(OC)cc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.44
PDCD1 Q15116 12/20 0.34
CD274 Q9NZQ7 12/20 0.34
DGAT2 Q96PD7 1/20 0.33
ENPP2 Q13822 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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 SCHEMBL5037828 0.85 F10 (0.61) F10ALDH1A1TP53
Hydrochloric Acid SCHEMBL5037816 0.85 F10 (0.61) F10ALDH1A1TP53
SCHEMBL5045474 0.85 F10 (0.45) F10PDCD1CD274DGAT2ENPP2
SCHEMBL5040624 0.83 F10 (0.56) F10PDCD1CD274DGAT2ENPP2
SCHEMBL5040640 0.83 F10 (0.56) F10PDCD1CD274DGAT2ENPP2
SCHEMBL5042326 0.81 F10 (0.41) F10DGAT2TRPV1
SCHEMBL5042329 0.81 F10 (0.41) F10DGAT2TRPV1
SCHEMBL5045235 0.81 F10 (0.44) F10DGAT2ALDH1A1MAPK8
SCHEMBL5045239 0.81 F10 (0.44) F10DGAT2ALDH1A1MAPK8
SCHEMBL5047127 0.80 P2RX7 (0.42) F10DGAT2ENPP2TRPV1

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 8/4885PDCD1 4790/4885CD274 4615/4885

“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.