SCHEMBL7706322

SCHEMBL7706322

O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.48
CYP26A1 O43174 1/20 0.47
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 1/20 0.43
KMT2A Q03164 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA2B P08514 1/20 0.43
ITGB5 P18084 1/20 0.43
ITGB6 P18564 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL29522687 1.00 CASP3 (0.48) CASP3CYP26A1HTTSMN1; SMN2L3MBTL1
SCHEMBL3810153 1.00 CASP3 (0.48) CASP3CYP26A1HTTSMN1; SMN2L3MBTL1
SCHEMBL6881599 1.00 CASP3 (0.48) CASP3CYP26A1HTTSMN1; SMN2L3MBTL1
SCHEMBL5342809 0.89 CASP3 (0.51) CASP3EPHX2KMT2AALDH1A1MDM4
SCHEMBL4031772 0.89 CASP3 (0.51) CASP3EPHX2KMT2AALDH1A1MDM4
SCHEMBL5342811 0.89 CASP3 (0.51) CASP3EPHX2KMT2AALDH1A1MDM4
SCHEMBL23611128 0.86 HTT (0.45) CASP3HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL23611126 0.86 HTT (0.45) CASP3HTTSMN1; SMN2L3MBTL1EPHX2
SCHEMBL3835254 0.85 CASP3 (0.59) CASP3EPHX2KMT2AMDM4TP53
SCHEMBL3199882 0.85 CASP3 (0.59) CASP3EPHX2KMT2AMDM4TP53

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-20020183256-A1 Cytostatic-integrin conjugates having specifically cleavable linking units BAYER AKTIENGESELLSCHAFT (DE) 2002-12-05 US disclosed
EP-1219305-A1 Conjugates of integrin receptor antagonists and a cytostatic agent having specifically cleavable linking units Bayer Aktiengesellschaft (DE) 2002-07-03 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-20020183256-A1 Cytostatic-integrin conjugates having specifically cleavable linking units ITGAV, ITGB3, ITGAL CASP3 117/4885CYP26A1 4100/4885HTT 4631/4885

“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.