SCHEMBL5041238

SCHEMBL5041238

COc1ccc([C@H](OC)C(=O)NCc2ccc(C#N)cc2Cl)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.43
EPHX2 P34913 5/20 0.42
FPR1 P21462 2/20 0.38
FPR2 P25090 2/20 0.38
DGAT2 Q96PD7 1/20 0.38
PTGES O14684 1/20 0.38
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
LMNA P02545 1/20 0.36
NR1H4 Q96RI1 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
SCHEMBL5041232 1.00 P2RX7 (0.43) P2RX7EPHX2FPR1FPR2DGAT2
SCHEMBL5042085 0.92 P2RX7 (0.41) P2RX7EPHX2FPR1FPR2DGAT2
SCHEMBL5042078 0.92 P2RX7 (0.41) P2RX7EPHX2FPR1FPR2DGAT2
SCHEMBL5037283 0.91 DGAT2 (0.40) P2RX7EPHX2DGAT2
SCHEMBL5037279 0.91 DGAT2 (0.40) P2RX7EPHX2DGAT2
SCHEMBL5044099 0.88 P2RX7 (0.44) P2RX7EPHX2FPR1FPR2DGAT2
SCHEMBL5044097 0.88 P2RX7 (0.44) P2RX7EPHX2FPR1FPR2DGAT2
SCHEMBL5037449 0.85 GSK3B (0.43) FPR1FPR2
SCHEMBL5037450 0.85 GSK3B (0.43) FPR1FPR2
SCHEMBL5040465 0.82 DGAT2 (0.38) EPHX2DGAT2

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 P2RX7 187/4885EPHX2 1557/4885FPR1 48/4885

“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.