SCHEMBL3837360

SCHEMBL3837360

CCOC(=O)CC(NS(=O)(=O)c1ccccc1)c1cccc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
ATM Q13315 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
EEF2K O00418 3/20 0.45
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
POLB P06746 1/20 0.43
GRK2 P25098 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
MCL1 Q07820 1/20 0.41
CA12 O43570 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
SCHEMBL3840533 0.96 ALDH1A1 (0.51) ALDH1A1MAPTATML3MBTL1KMT2A
SCHEMBL7145763 0.93 ALDH1A1 (0.54) ALDH1A1MAPTATML3MBTL1KMT2A
SCHEMBL3834077 0.90 ALDH1A1 (0.50) ALDH1A1MAPTATML3MBTL1KMT2A
SCHEMBL7410768 0.89 ITGB3 (0.54) ALDH1A1MAPTATML3MBTL1KMT2A
SCHEMBL5878081 0.89 ITGB3 (0.54) ALDH1A1MAPTATML3MBTL1KMT2A
SCHEMBL7194134 0.87 MAPT (0.59) ALDH1A1MAPTATML3MBTL1KMT2A
SCHEMBL6896597 0.83 MAPT (0.60) ALDH1A1MAPTATML3MBTL1KMT2A
SCHEMBL6774065 0.83 ALDH1A1 (0.55) ALDH1A1MAPTATML3MBTL1KMT2A
SCHEMBL3839370 0.83 ALDH1A1 (0.76) ALDH1A1MAPTATML3MBTL1KMT2A
SCHEMBL5878110 0.82 ALDH1A1 (0.54) ALDH1A1MAPTATML3MBTL1KMT2A

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 10 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
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 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
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 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 ALDH1A1 1836/4885MAPT 4081/4885ATM 3571/4885
US-20010031788-A1 Beta-phenylalanine derivatives as integrin antagonists ITGB4, ITGA4, ITGB2 ALDH1A1 2010/4885MAPT 3865/4885ATM 2391/4885

“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.