SCHEMBL5040702

SCHEMBL5040702

CCO[C@H](C(=O)NCc1ccc(C#N)cc1Oc1ccccc1)c1ccc(OC)cc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
DGAT2 Q96PD7 2/20 0.38
TSPO P30536 4/20 0.38
F10 P00742 1/20 0.37
MAPK8 P45983 3/20 0.37
MAPK9 P45984 2/20 0.37
MAPK10 P53779 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL5040698 1.00 HTR2A (0.38) HTR2AKCNH2DGAT2TSPOF10
SCHEMBL5037337 0.91 MAPK8 (0.40) DGAT2F10MAPK8MAPK9MAPK10
SCHEMBL5037335 0.91 MAPK8 (0.40) DGAT2F10MAPK8MAPK9MAPK10
SCHEMBL5045235 0.90 F10 (0.44) HTR2AKCNH2DGAT2F10MAPK8
SCHEMBL5045239 0.90 F10 (0.44) HTR2AKCNH2DGAT2F10MAPK8
SCHEMBL5041946 0.87 DGAT2 (0.42) DGAT2TAS1R3TAS1R1
SCHEMBL5041948 0.87 DGAT2 (0.42) DGAT2TAS1R3TAS1R1
SCHEMBL5040465 0.87 DGAT2 (0.38) DGAT2F10MAPK8MAPK9MAPK10
SCHEMBL5040473 0.87 DGAT2 (0.38) DGAT2F10MAPK8MAPK9MAPK10
SCHEMBL5042577 0.86 GPR6 (0.38) DGAT2F10MAPK8MAPK9MAPK10

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 HTR2A 425/4885KCNH2 4519/4885DGAT2 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.