SCHEMBL5037337

SCHEMBL5037337

CCO[C@H](C(=O)NCc1ccc(C#N)cc1OC)c1ccc(OC)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.40
MAPK9 P45984 2/20 0.40
MAPK10 P53779 2/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
F10 P00742 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
DGAT2 Q96PD7 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL5037335 1.00 MAPK8 (0.40) MAPK8MAPK9MAPK10MGAMGAA
SCHEMBL5040473 0.92 DGAT2 (0.38) MAPK8MAPK9MAPK10F10DGAT2
SCHEMBL5040465 0.92 DGAT2 (0.38) MAPK8MAPK9MAPK10F10DGAT2
SCHEMBL5040702 0.91 HTR2A (0.38) MAPK8MAPK9MAPK10GAAF10
SCHEMBL5040698 0.91 HTR2A (0.38) MAPK8MAPK9MAPK10GAAF10
SCHEMBL5041306 0.90 MAPK8 (0.42) MAPK8MAPK9MAPK10F10DGAT2
SCHEMBL5042085 0.90 P2RX7 (0.41) MAPK8MAPK9MAPK10DGAT2
SCHEMBL5042078 0.90 P2RX7 (0.41) MAPK8MAPK9MAPK10DGAT2
SCHEMBL5037691 0.90 F10 (0.39) MAPK8MAPK9MAPK10F10DGAT2
SCHEMBL5041946 0.87 DGAT2 (0.42) TAS1R3TAS1R1DGAT2

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 MAPK8 794/4885MAPK9 442/4885MAPK10 772/4885

“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.