SCHEMBL5045474

SCHEMBL5045474

CCOC(C(=O)NCc1ccc(C#N)cc1OCC#N)c1c(F)cc(OC)cc1F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.45
DGAT2 Q96PD7 1/20 0.34
PDCD1 Q15116 3/20 0.34
CD274 Q9NZQ7 3/20 0.34
MAPK8 P45983 2/20 0.33
MAPK9 P45984 2/20 0.33
MAPK10 P53779 2/20 0.33
ENPP2 Q13822 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
FFAR1 O14842 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
SCHEMBL5040624 0.90 F10 (0.56) F10DGAT2PDCD1CD274MAPK8
SCHEMBL5040640 0.90 F10 (0.56) F10DGAT2PDCD1CD274MAPK8
SCHEMBL5042329 0.87 F10 (0.41) F10DGAT2FPR1FPR2TRPV1
SCHEMBL5042326 0.87 F10 (0.41) F10DGAT2FPR1FPR2TRPV1
SCHEMBL5045239 0.87 F10 (0.44) F10DGAT2MAPK8ALDH1A1
SCHEMBL5045235 0.87 F10 (0.44) F10DGAT2MAPK8ALDH1A1
SCHEMBL5047127 0.85 P2RX7 (0.42) F10DGAT2ENPP2FPR1FPR2
SCHEMBL5047120 0.85 P2RX7 (0.42) F10DGAT2ENPP2FPR1FPR2
SCHEMBL5047588 0.85 F10 (0.44) F10DGAT2PDCD1CD274MAPK8
SCHEMBL5037504 0.82 VNN1 (0.42) F10FPR1FPR2

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 8/4885DGAT2 4787/4885PDCD1 4790/4885

“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.