SCHEMBL5043288

SCHEMBL5043288

CO[C@H](C(=O)NCc1ccc(C#N)cc1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
SMPD1 P17405 1/20 0.51
GPR34 Q9UPC5 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAOB P27338 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
ACACB O00763 1/20 0.45
LMNA P02545 1/20 0.44
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44

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
SCHEMBL5043284 1.00 PKM (0.54) PKMSMPD1GPR34CYP11B1CYP11B2
SCHEMBL5042355 0.90 PKM (0.58) PKMMAOBKMT2ASLC1A3SLC1A2
SCHEMBL5042354 0.90 PKM (0.58) PKMMAOBKMT2ASLC1A3SLC1A2
SCHEMBL5041644 0.89 PKM (0.57) PKMSMN1; SMN2KMT2AMEN1SLC1A3
SCHEMBL5041641 0.89 PKM (0.57) PKMSMN1; SMN2KMT2AMEN1SLC1A3
SCHEMBL5042586 0.86 PKM (0.52) PKMSMPD1SMN1; SMN2KMT2ASLC1A3
SCHEMBL5042585 0.86 PKM (0.52) PKMSMPD1SMN1; SMN2KMT2ASLC1A3
SCHEMBL5041218 0.85 PKM (0.72) PKMSMN1; SMN2KMT2AMEN1SLC1A3
SCHEMBL5040508 0.85 PKM (0.72) PKMSMN1; SMN2KMT2AMEN1SLC1A3
SCHEMBL5040509 0.85 PKM (0.72) PKMSMN1; SMN2KMT2AMEN1SLC1A3

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 PKM 4225/4885SMPD1 369/4885GPR34 1139/4885

“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.