SCHEMBL7190508

SCHEMBL7190508

CCOC(=O)CC(NS(=O)(=O)c1ccccc1)c1cccc(NS(=O)(=O)c2cccc(N(C(=N)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
TGFBR1 P36897 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 2/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL3838832 0.87 F2 (0.35) F2ALDH1A1MAPTTGFBR1TP53
SCHEMBL7190513 0.86 F2 (0.41) F2ALDH1A1MAPTTGFBR1ITGB3
SCHEMBL7190516 0.81 ITGB3 (0.41) F2ALDH1A1MAPTTGFBR1ITGB3
SCHEMBL7187012 0.78 MAPT (0.47) F2ALDH1A1MAPTITGB3ITGAV
SCHEMBL7196567 0.77 F2 (0.38) F2ALDH1A1MAPTTGFBR1ITGB3
SCHEMBL3834077 0.77 ALDH1A1 (0.50) ALDH1A1MAPTITGB3ITGAVMEN1
SCHEMBL7191782 0.77 MAPT (0.48) ALDH1A1MAPTITGB3ITGAVMEN1
SCHEMBL7187086 0.76 F2 (0.37) F2ALDH1A1MAPTTGFBR1F10
SCHEMBL3838833 0.74 F2 (0.34) F2ALDH1A1MAPTTGFBR1PKM
SCHEMBL3834647 0.74 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6589972-B2 Anticancer agents, osteoporosis, arteriosclerosis, restnosis,vision defects BAYER AKTIENGESELLSCHAFT (DE) 2003-07-08 US 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

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-20010031788-A1 Beta-phenylalanine derivatives as integrin antagonists ITGB4, ITGA4, ITGB2 F2 1860/4885ALDH1A1 2010/4885MAPT 3865/4885

“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.