SCHEMBL7150464

SCHEMBL7150464

C=CCOC(=O)NC(CC)(CC(=O)O)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 5/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PGR P06401 1/20 0.42
AR P10275 1/20 0.41
ALOX5 P09917 1/20 0.41
PKM P14618 1/20 0.40
HTR6 P50406 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
SCHEMBL7148734 0.87 POLB (0.43) KMT2AMEN1LMNAMAPTHIF1A
SCHEMBL7147943 0.83 MAPT (0.43) KMT2AMEN1LMNAMAPTHTT
SCHEMBL7150473 0.75 CASP3 (0.45) KMT2AMEN1LMNAMAPTHTT
SCHEMBL11853928 0.74 CA2 (0.54) KMT2AMEN1HTTALDH1A1ALOX5
SCHEMBL7143100 0.74 KMT2A (0.51) KMT2AMEN1LMNAMAPTHTT
SCHEMBL3811615 0.73 ALDH1A1 (0.53) KMT2AMEN1LMNAMAPTHTT
SCHEMBL13623011 0.67 ALOX5 (0.67) KMT2AMEN1LMNAMAPTHTT
SCHEMBL4101284 0.67 PGR (0.78) KMT2AMEN1LMNAMAPTHTT
SCHEMBL14186064 0.67 MEN1 (0.47) KMT2AMEN1LMNAMAPTHTT
SCHEMBL1025441 0.67 CASP3 (0.67) KMT2AMEN1LMNAMAPTHTT

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-1347783-A1 CONJUGATES OF INTEGRIN RECEPTOR ANTAGONISTS AND A CYTOSTATIC AGENT HAVING SPECIFICALLY CLEAVABLE LINKING UNITS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-20020183256-A1 Cytostatic-integrin conjugates having specifically cleavable linking units BAYER AKTIENGESELLSCHAFT (DE) 2002-12-05 US disclosed
EP-1238678-A1 Enzyme-activated cytostatic conjugates with integrin ligands Bayer Aktiengesellschaft (DE) 2002-09-11 EP disclosed
WO-2002051444-A1 CONJUGATES OF INTEGRIN RECEPTOR ANTAGONISTS AND A CYTOSTATIC AGENT HAVING SPECIFICALLY CLEAVABLE LINKING UNITS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO 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 KMT2A 2966/4885MEN1 874/4885LMNA 1273/4885

“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.