SCHEMBL5044097

SCHEMBL5044097

COc1cc(F)c(C(OC)C(=O)NCc2ccc(C#N)cc2Cl)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.44
EPHX2 P34913 5/20 0.43
FPR1 P21462 3/20 0.38
FPR2 P25090 3/20 0.38
DGAT2 Q96PD7 1/20 0.38
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
PTGES O14684 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
ENPP2 Q13822 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5044099 1.00 P2RX7 (0.44) P2RX7EPHX2FPR1FPR2DGAT2
SCHEMBL5047120 0.91 P2RX7 (0.42) P2RX7EPHX2FPR1FPR2DGAT2
SCHEMBL5047127 0.91 P2RX7 (0.42) P2RX7EPHX2FPR1FPR2DGAT2
SCHEMBL5043577 0.90 DGAT2 (0.39) FPR1FPR2DGAT2TRPV1LMNA
SCHEMBL5043572 0.90 DGAT2 (0.39) FPR1FPR2DGAT2TRPV1LMNA
SCHEMBL5041232 0.88 P2RX7 (0.43) P2RX7EPHX2FPR1FPR2DGAT2
SCHEMBL5041238 0.88 P2RX7 (0.43) P2RX7EPHX2FPR1FPR2DGAT2
SCHEMBL5041193 0.84 PKM (0.43) EPHX2FPR1FPR2
SCHEMBL5041197 0.84 PKM (0.43) EPHX2FPR1FPR2
SCHEMBL5040874 0.83 ENPP2 (0.42) EPHX2DGAT2TRPV1KCNH2ENPP2

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.