Sugi Predict

Sugi Predict / Compounds / SCHEMBL3811615

SCHEMBL3811615

SCHEMBL3811615

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.53
▸ MAPT P10636 4/20 0.53
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ HIF1A Q16665 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ XBP1 P17861 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PGR P06401 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ PKM P14618 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
SCHEMBL7143100 0.88 KMT2A (0.51) ALDH1A1MAPTKMT2AMEN1HIF1A
SCHEMBL2973338 0.87 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3809843 0.87 POLB (0.40) ALDH1A1MAPTKMT2ALMNAHPGD
SCHEMBL7198913 0.85 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1HIF1A
SCHEMBL7193876 0.84 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1HIF1A
SCHEMBL3834647 0.83 ALDH1A1 (0.67) ALDH1A1MAPTKMT2AMEN1HIF1A
SCHEMBL7191817 0.83 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1HIF1A
SCHEMBL4954940 0.83 MAPT (0.42) ALDH1A1MAPTKDM4EPKM
SCHEMBL7150473 0.82 CASP3 (0.45) ALDH1A1MAPTKMT2AMEN1HIF1A
SCHEMBL7781107 0.82 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235595-B8 INTEGRIN-MEDIATED DRUG TARGETING BAYER SCHERING PHARMA AG (DE) 2009-10-07 — — EP disclosed
EP-1235595-B1 INTEGRIN-MEDIATED DRUG TARGETING ALBERS MARKUS (DE) 2009-08-05 — — EP 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
US-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 — — US disclosed
US-20060189544-A1 Integrin-Mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2006-08-24 — — US disclosed
EP-1372732-A1 ENZYME-ACTIVATED CYTOSTATIC CONJUGATES WITH INTEGRIN LIGANDS Bayer HealthCare AG (DE) 2004-01-02 — — EP 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
WO-2002072151-A1 ENZYME-ACTIVATED CYTOSTATIC CONJUGATES WITH INTEGRIN LIGANDS BAYER AKTIENGESELLSCHAFT (DE) 2002-09-19 — — WO disclosed
EP-1238678-A1 Enzyme-activated cytostatic conjugates with integrin ligands Bayer Aktiengesellschaft (DE) 2002-09-11 — — EP disclosed
EP-1235595-A2 INTEGRIN-MEDIATED DRUG TARGETING Bayer Aktiengesellschaft (DE) 2002-09-04 — — 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
WO-2001017563-A2 INTEGRIN-MEDIATED DRUG TARGETING BAYER AKTIENGESELLSCHAFT (DE) 2001-03-15 — — WO 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 (4 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 ALDH1A1 2750/4885MAPT 3777/4885KMT2A 2966/4885
US-20060189544-A1 Integrin-Mediated drug targeting ITGAV, ITGB3, ITGB1 ALDH1A1 1836/4885MAPT 4081/4885KMT2A 3929/4885
US-20020193311-A1 Novel cytostatic conjugates with integrin ligands ITGB3, ITGAV, ITGB5 ALDH1A1 2365/4885MAPT 4656/4885KMT2A 3876/4885
US-20080108576-A1 Novel cytostatic conjugates with integrin ligands ITGB3, ITGAV, ITGB5 ALDH1A1 1921/4885MAPT 4589/4885KMT2A 4000/4885

“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.