SCHEMBL7188070

SCHEMBL7188070

COC(=O)CC(NS(=O)(=O)c1ccccc1)c1cccc(OCc2ccccc2NC(=N)N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
ADAMTS4 O75173 4/20 0.39
MMP13 P45452 1/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ITGB3 P05106 3/20 0.39
ITGA2B P08514 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITGAV P06756 1/20 0.38
KAT6A Q92794 2/20 0.37
EEF2K O00418 2/20 0.37
MAPT P10636 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36

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
SCHEMBL7188076 0.85 F2 (0.44) F2F10PRSS1ADAMTS4KMT2A
SCHEMBL7195712 0.77 ITGB3 (0.51) KMT2ASMN1; SMN2ITGB3ITGA2BALDH1A1
SCHEMBL7189013 0.77 ALDH1A1 (0.50) F2F10PRSS1ADAMTS4MMP13
SCHEMBL7193396 0.75 ADAMTS4 (0.59) ADAMTS4MMP13KMT2ASMN1; SMN2MEN1
SCHEMBL7194134 0.71 MAPT (0.59) KMT2AMEN1ALDH1A1ATML3MBTL1
SCHEMBL7193123 0.71 ADAMTS4 (0.37) F2F10PRSS1ADAMTS4MMP13
SCHEMBL7187012 0.70 MAPT (0.47) F2F10PRSS1KMT2ASMN1; SMN2
SCHEMBL5700833 0.70 ALDH1A1 (0.52) MMP13KMT2AITGB3ALDH1A1ATM
SCHEMBL5700825 0.70 ALDH1A1 (0.52) MMP13KMT2AITGB3ALDH1A1ATM
SCHEMBL7198477 0.70 MAPT (0.45) F2F10PRSS1KMT2ASMN1; SMN2

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 F2 1860/4885F10 1671/4885PRSS1 1116/4885

“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.