SCHEMBL5045173

SCHEMBL5045173

CCOC(C(=O)NCc1ccc(C#N)cc1N(C)C(N)=O)c1ccc(OC)cc1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.35
EPHX2 P34913 2/20 0.34
DGAT2 Q96PD7 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
MAPK10 P53779 2/20 0.34
GPR6 P46095 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
CHRM4 P08173 2/20 0.31
CTSD P07339 2/20 0.31
MCHR1 Q99705 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
SCHEMBL5041306 0.86 MAPK8 (0.42) F10EPHX2DGAT2MAPK8MAPK9
SCHEMBL5040465 0.86 DGAT2 (0.38) F10EPHX2DGAT2MAPK8MAPK9
SCHEMBL5040473 0.86 DGAT2 (0.38) F10EPHX2DGAT2MAPK8MAPK9
SCHEMBL5037335 0.85 MAPK8 (0.40) F10DGAT2MAPK8MAPK9MAPK10
SCHEMBL5037337 0.85 MAPK8 (0.40) F10DGAT2MAPK8MAPK9MAPK10
Hydrochloric Acid SCHEMBL5045204 0.85 F10 (0.46) F10EPHX2CARM1PRMT6CHRM4
SCHEMBL5042085 0.85 P2RX7 (0.41) EPHX2DGAT2MAPK8MAPK9MAPK10
SCHEMBL5042078 0.85 P2RX7 (0.41) EPHX2DGAT2MAPK8MAPK9MAPK10
SCHEMBL5045413 0.83 SMN1; SMN2 (0.38) EPHX2DGAT2MAPK8MAPK9MAPK10
SCHEMBL5041946 0.82 DGAT2 (0.42) DGAT2

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 8/4885EPHX2 1557/4885DGAT2 4787/4885

“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.