SCHEMBL3834652

SCHEMBL3834652

CCOC(=O)C(Cc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.52
AR P10275 1/20 0.52
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
BACE1 P56817 1/20 0.49
MAPK1 P28482 2/20 0.49
XBP1 P17861 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PGR P06401 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
KDM1A O60341 1/20 0.46

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
SCHEMBL3839373 0.91 BACE1 (0.53) MAPTHTTBACE1MAPK1ALDH1A1
SCHEMBL7193890 0.88 HIF1A (0.49) HIF1AARMEN1KMT2AMAPT
SCHEMBL3834082 0.85 HTR6 (0.51) BACE1ALDH1A1POLBCTSLCTSS
SCHEMBL7191787 0.83 BACE1 (0.48) MAPTBACE1ALDH1A1SMN1; SMN2POLB
SCHEMBL5134084 0.83 BACE1 (0.57) MAPTBACE1ALDH1A1MMP2MMP9
SCHEMBL5041194 0.83 BACE1 (0.57) MAPTBACE1ALDH1A1MMP2MMP9
SCHEMBL7193260 0.81 BACE1 (0.46) MAPTBACE1MMP2MMP9POLB
SCHEMBL3834647 0.80 ALDH1A1 (0.67) HIF1AARMEN1KMT2AMAPT
SCHEMBL3837363 0.77 BACE1 (0.54) MEN1KMT2AMAPTBACE1ALDH1A1
SCHEMBL7194146 0.76 MMP2 (0.53) MEN1KMT2AMAPTBACE1MMP2

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 8 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
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
US-6589972-B2 Anticancer agents, osteoporosis, arteriosclerosis, restnosis,vision defects BAYER AKTIENGESELLSCHAFT (DE) 2003-07-08 US disclosed
EP-1235595-A2 INTEGRIN-MEDIATED DRUG TARGETING Bayer Aktiengesellschaft (DE) 2002-09-04 EP disclosed
US-20010031788-A1 Beta-phenylalanine derivatives as integrin antagonists SCHOOP ANDREAS (DE) 2001-10-18 US disclosed
US-6291503-B1 β-phenylalanine derivatives as integrin antagonists BAYER AKTIENGESELLSCHAFT (DE) 2001-09-18 US 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 (2 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-20060189544-A1 Integrin-Mediated drug targeting ITGAV, ITGB3, ITGB1 HIF1A 2498/4885AR 2350/4885MEN1 2199/4885
US-20010031788-A1 Beta-phenylalanine derivatives as integrin antagonists ITGB4, ITGA4, ITGB2 HIF1A 1204/4885AR 326/4885MEN1 4639/4885

“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.