SCHEMBL5025458

SCHEMBL5025458

CC(C)(C)OC(=O)CN1C(=O)CCN(CC(=O)O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCKBR P32239 4/20 0.40
PLA2G10 O15496 1/20 0.39
PLA2G5 P39877 1/20 0.39
CASP3 P42574 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN10A Q9Y5Y9 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
SCHEMBL5030092 0.95 MEN1 (0.45) MEN1KMT2AMAPTSMN1; SMN2CCKBR
SCHEMBL6361822 0.79 PLA2G10 (0.41) KMT2APLA2G10PLA2G5SCN9ASCN10A
SCHEMBL29035758 0.77 POLB (0.54) MEN1KMT2AMAPTSMN1; SMN2CCKBR
SCHEMBL5029922 0.75 PLA2G10 (0.31) PLA2G10PLA2G5CASP3
SCHEMBL5966758 0.75 CCKBR (0.48) MAPTSMN1; SMN2CCKBR
SCHEMBL5025707 0.73 ITGB3 (0.42) MEN1KMT2AMAPTSMN1; SMN2CCKBR
SCHEMBL5026289 0.73 ITGB3 (0.42) MEN1KMT2AMAPTSMN1; SMN2CCKBR
SCHEMBL5023976 0.73 ITGB3 (0.42) MEN1KMT2AMAPTSMN1; SMN2CCKBR
SCHEMBL9532098 0.73 PLA2G10 (0.40) MEN1KMT2ASMN1; SMN2CCKBRPLA2G10
SCHEMBL6441063 0.72 SCN9A (0.43) MEN1KMT2AMAPTSMN1; SMN2CCKBR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B MEN1 4463/4885KMT2A 4698/4885MAPT 4479/4885

“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.