SCHEMBL7197225

SCHEMBL7197225

CCOC(=O)CC(NC(=O)Cc1c(C)cc(C)cc1C)c1cccc(NS(=O)(=O)c2cccc(NC(=N)N)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
PKM P14618 2/20 0.38
ALDH1A1 P00352 2/20 0.38
F2 P00734 2/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35

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
SCHEMBL7191781 0.90 PKM (0.41) MAPTPKMALDH1A1CA1CA2
SCHEMBL7189141 0.89 ALDH1A1 (0.40) MAPTPKMALDH1A1MAPK1SMN1; SMN2
SCHEMBL7193159 0.85 MEN1 (0.47) MAPTALDH1A1MAPK1SMN1; SMN2NPSR1
SCHEMBL7781107 0.84 ALDH1A1 (0.55) MAPTPKMALDH1A1MAPK1SMN1; SMN2
SCHEMBL7194809 0.84 F10 (0.43) MAPTF2F10PLGPLAU
SCHEMBL7187012 0.83 MAPT (0.47) MAPTPKMALDH1A1F2F10
SCHEMBL7788182 0.83 ALDH1A1 (0.43) MAPTPKMALDH1A1F2F10
SCHEMBL7781201 0.81 PKM (0.41) MAPTPKMALDH1A1F2F10
SCHEMBL7788773 0.80 ITGB3 (0.42) MAPTPKMALDH1A1F2F10
SCHEMBL7788290 0.79 ITGB3 (0.43) PKMCA1CA2ATMMAPK1

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 5 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
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-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 (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 MAPT 3865/4885PKM 1186/4885ALDH1A1 2010/4885

“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.