SCHEMBL5042640

SCHEMBL5042640

COc1cccc(F)c1[C@H](OC)C(=O)NCc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
PKM P14618 1/20 0.44
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
CARM1 Q86X55 3/20 0.40
PRMT6 Q96LA8 3/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
EPHX2 P34913 1/20 0.39
CTSD P07339 1/20 0.39

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
SCHEMBL5042636 1.00 HIF1A (0.46) HIF1APKMHTR1ADRD2CARM1
SCHEMBL5041552 0.92 PKM (0.48) HIF1APKMCARM1PRMT6ALDH1A1
SCHEMBL5041550 0.92 PKM (0.48) HIF1APKMCARM1PRMT6ALDH1A1
SCHEMBL5040796 0.90 PKM (0.41) HIF1APKMHTR1ADRD2CARM1
SCHEMBL5045409 0.89 KDM4E (0.42) HIF1APKMCARM1PRMT6ALDH1A1
SCHEMBL5042034 0.88 PKM (0.45) HIF1APKMCARM1PRMT6ALDH1A1
SCHEMBL5042039 0.88 PKM (0.45) HIF1APKMCARM1PRMT6ALDH1A1
SCHEMBL5042657 0.88 HIF1A (0.41) HIF1APKMHTR1ADRD2CARM1
SCHEMBL5043333 0.86 PKM (0.41) HIF1APKMHTR1ADRD2CARM1
SCHEMBL5037467 0.85 PKM (0.47) HIF1APKMHTR1ADRD2MAPK1

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 HIF1A 251/4885PKM 4225/4885HTR1A 30/4885

“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.