SCHEMBL5038155

SCHEMBL5038155

CO[C@](C)(C(=O)NCc1ccc(C#N)cc1)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARA Q07869 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.38
ABCB1 P08183 1/20 0.38
MMP3 P08254 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
RIPK1 Q13546 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
VNN1 O95497 1/20 0.38
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 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
SCHEMBL5038146 1.00 EPHX2 (0.46) EPHX2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL5042714 0.83 EPHX2 (0.54) EPHX2MEN1KMT2APPARARAB9A
SCHEMBL5042707 0.83 EPHX2 (0.54) EPHX2MEN1KMT2APPARARAB9A
Hydrochloric Acid SCHEMBL5041259 0.81 F2 (0.44) KDM4EMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL5041254 0.81 F2 (0.44) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL11377123 0.76 MTNR1A (0.41) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL11358177 0.74 CA12 (0.46) KDM4EALDH1A1
SCHEMBL11349554 0.74 CA12 (0.45) KDM4EALDH1A1
SCHEMBL2578237 0.73 EPHX2 (0.62) EPHX2PPARAMMP3RIPK1LOXL2
SCHEMBL11350783 0.73 SCN1A (0.45) KDM4EALDH1A1

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 EPHX2 1557/4885KDM4E 2563/4885MEN1 766/4885

“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.