SCHEMBL7188076

SCHEMBL7188076

COC(=O)CC(NS(=O)(=O)c1ccccc1)c1cccc(OCc2cccc(NC(=N)N)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
ITGB3 P05106 3/20 0.43
ITGAV P06756 2/20 0.43
LTA4H P09960 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F7 P08709 1/20 0.42
ITGA2B P08514 1/20 0.42
ADAMTS4 O75173 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
SCHEMBL7195712 0.92 ITGB3 (0.51) KMT2ALMNAITGB3ITGAVLTA4H
SCHEMBL7188070 0.85 F2 (0.43) F2F10PRSS1KMT2AMEN1
SCHEMBL7193396 0.81 ADAMTS4 (0.59) KMT2AMEN1LMNASMN1; SMN2ADAMTS4
SCHEMBL7863151 0.79 KMT2A (0.57) F10KMT2AMEN1LTA4HSMN1; SMN2
SCHEMBL7187012 0.77 MAPT (0.47) F2F10PRSS1KMT2AMEN1
SCHEMBL7189013 0.76 ALDH1A1 (0.50) F2F10PRSS1KMT2ALMNA
SCHEMBL7198477 0.76 MAPT (0.45) F2F10PRSS1KMT2AMEN1
SCHEMBL7193123 0.75 ADAMTS4 (0.37) F2F10PRSS1KMT2ASMN1; SMN2
SCHEMBL7790169 0.74 ITGB3 (0.49) F2KMT2AMEN1LMNAITGB3
SCHEMBL7194759 0.73 ITGB3 (0.52) KMT2AMEN1ITGB3ITGAVITGA2B

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.