SCHEMBL4956231

SCHEMBL4956231

CCCNC(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(N)CC(=O)OCC)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.46
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
GHSR Q92847 4/20 0.44
ITGB3 P05106 3/20 0.43
ITGAV P06756 3/20 0.43
PKM P14618 1/20 0.42
ADRB3 P13945 1/20 0.42
CASR P41180 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41

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
SCHEMBL23795533 0.89 MAPT (0.50) MAPTSMN1; SMN2KDM4ECA12CA1
SCHEMBL14186058 0.89 MAPT (0.50) MAPTSMN1; SMN2KDM4ECA12CA1
SCHEMBL4954940 0.83 MAPT (0.42) MAPTSMN1; SMN2KDM4ECA12CA1
SCHEMBL24106585 0.82 ITGB3 (0.50) MAPTSMN1; SMN2KDM4EGHSRITGB3
SCHEMBL25132977 0.79 ITGB3 (0.52) MAPTSMN1; SMN2KDM4ECA12CA1
SCHEMBL7785677 0.77 ITGB3 (0.51) MAPTSMN1; SMN2KDM4EGHSRITGB3
SCHEMBL7785678 0.77 ITGB3 (0.51) MAPTSMN1; SMN2KDM4EGHSRITGB3
SCHEMBL14501719 0.77 CA1 (0.38) MAPTSMN1; SMN2CA12CA1CA2
SCHEMBL4598418 0.76 MEN1 (0.48) MAPTSMN1; SMN2
SCHEMBL4598417 0.76 MEN1 (0.48) MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108576-A1 Novel cytostatic conjugates with integrin ligands BAYER AKTIENGESELLSCHAFT (DE) 2008-05-08 US disclosed
US-20080108576-A1 Novel cytostatic conjugates with integrin ligands BAYER AKTIENGESELLSCHAFT (DE) 2008-05-08 US disclosed
US-20080108576-A1 Novel cytostatic conjugates with integrin ligands BAYER AKTIENGESELLSCHAFT (DE) 2008-05-08 US disclosed
US-7304037-B2 Cytostatic conjugates with integrin ligands BAYER AKIENGESELLSCHAFT (DE) 2007-12-04 US disclosed
US-7304037-B2 Cytostatic conjugates with integrin ligands BAYER AKIENGESELLSCHAFT (DE) 2007-12-04 US disclosed
US-7304037-B2 Cytostatic conjugates with integrin ligands BAYER AKIENGESELLSCHAFT (DE) 2007-12-04 US disclosed
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-20020193311-A1 Novel cytostatic conjugates with integrin ligands BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-12-19 US 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 (3 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 MAPT 3777/4885SMN1; SMN2 2343/4885KDM4E 3669/4885
US-20020193311-A1 Novel cytostatic conjugates with integrin ligands ITGB3, ITGAV, ITGB5 MAPT 4656/4885SMN1; SMN2 3057/4885KDM4E 4532/4885
US-20080108576-A1 Novel cytostatic conjugates with integrin ligands ITGB3, ITGAV, ITGB5 MAPT 4589/4885SMN1; SMN2 3190/4885KDM4E 4620/4885

“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.