SCHEMBL7150473

SCHEMBL7150473

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
KMT2A Q03164 7/20 0.45
MEN1 O00255 4/20 0.45
LMNA P02545 3/20 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
PGR P06401 1/20 0.42
AR P10275 1/20 0.41
PKM P14618 1/20 0.40
GAA P10253 2/20 0.39
ALOX5 P09917 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
SCHEMBL7148744 0.87 HTR6 (0.43) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL7143100 0.83 KMT2A (0.51) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL7147947 0.83 MAPT (0.42) MAPTALDH1A1L3MBTL1
SCHEMBL3811615 0.82 ALDH1A1 (0.53) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL7150464 0.75 KMT2A (0.45) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL11853928 0.74 CA2 (0.54) KMT2AMEN1HTTALDH1A1GAA
SCHEMBL7191817 0.70 ALDH1A1 (0.54) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL23795529 0.70 ALOX5 (0.56) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL23795530 0.70 ALOX5 (0.56) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL3834647 0.70 ALDH1A1 (0.67) CASP3SENP8SENP7SENP6KMT2A

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 CASP3 117/4885SENP8 818/4885SENP7 669/4885

“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.