SCHEMBL5037692

SCHEMBL5037692

CCOc1ccc(C(OC)C(=O)NCc2ccc(C#N)cc2)c(F)c1OCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
EPHX2 P34913 2/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.37
HIF1A Q16665 1/20 0.37
AKR1B1 P15121 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
PPARA Q07869 1/20 0.36
BRD4 O60885 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL5037694 1.00 MEN1 (0.40) MEN1KMT2AGAAEPHX2PKM
SCHEMBL5043346 0.84 HIF1A (0.42) MEN1KMT2AGAAEPHX2PKM
SCHEMBL5043348 0.84 HIF1A (0.42) MEN1KMT2AGAAEPHX2PKM
SCHEMBL5041188 0.83 MEN1 (0.39) MEN1KMT2AGAAEPHX2PKM
SCHEMBL5041195 0.83 MEN1 (0.39) MEN1KMT2AGAAEPHX2PKM
Hydrochloric Acid SCHEMBL5037948 0.82 F2 (0.48) MEN1KMT2AGAAPKM
Hydrochloric Acid SCHEMBL5037941 0.82 F2 (0.48) MEN1KMT2AGAAPKM
SCHEMBL5045464 0.82 PKM (0.43) KMT2AGAAPKMHIF1ASLC1A3
SCHEMBL5045468 0.82 PKM (0.43) KMT2AGAAPKMHIF1ASLC1A3
SCHEMBL5041258 0.80 HIF1A (0.46) EPHX2PKMLMNAHIF1ASLC1A3

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 MEN1 766/4885KMT2A 1963/4885GAA 1312/4885

“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.