SCHEMBL5038178

SCHEMBL5038178

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
LMNA P02545 1/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
OPRK1 P41145 1/20 0.42
EPHX2 P34913 1/20 0.41
FPR2 P25090 2/20 0.40
FPR1 P21462 1/20 0.40
ELANE P08246 1/20 0.40
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
SMPD1 P17405 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
ERCC1 P07992 2/20 0.39
ERCC4 Q92889 2/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL5038176 1.00 PKM (0.55) PKMLMNASLC1A3SLC1A2OPRK1
SCHEMBL5040509 0.87 PKM (0.72) PKMLMNASLC1A3SLC1A2EPHX2
SCHEMBL5040508 0.87 PKM (0.72) PKMLMNASLC1A3SLC1A2EPHX2
SCHEMBL5041218 0.87 PKM (0.72) PKMLMNASLC1A3SLC1A2EPHX2
SCHEMBL5037792 0.86 PKM (0.56) PKMLMNASLC1A3SLC1A2EPHX2
SCHEMBL5037796 0.86 PKM (0.56) PKMLMNASLC1A3SLC1A2EPHX2
SCHEMBL5042586 0.86 PKM (0.52) PKMLMNASLC1A3SLC1A2EPHX2
SCHEMBL5042585 0.86 PKM (0.52) PKMLMNASLC1A3SLC1A2EPHX2
SCHEMBL5041644 0.85 PKM (0.57) PKMLMNASLC1A3SLC1A2KMT2A
SCHEMBL5041641 0.85 PKM (0.57) PKMLMNASLC1A3SLC1A2KMT2A

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 4225/4885LMNA 1694/4885SLC1A3 2652/4885

“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.