SCHEMBL7197221

SCHEMBL7197221

CCOC(=O)CC(NC(=O)Cc1c(C)cc(C)cc1C)c1cccc(N(NC(=N)N)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
F10 P00742 2/20 0.36
GAA P10253 2/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 1/20 0.34
F2 P00734 2/20 0.34
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 2/20 0.33

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
SCHEMBL7191775 0.91 ATM (0.38) ALDH1A1ITGB3ITGA2BTP53SMN1; SMN2
SCHEMBL7194808 0.85 F10 (0.42) ALDH1A1MAPTF10GAALMNA
SCHEMBL7195679 0.85 F10 (0.38) ALDH1A1MAPTF10LMNAKDM4E
SCHEMBL7788180 0.84 F10 (0.38) ALDH1A1MAPTF10LMNAKDM4E
SCHEMBL7187004 0.83 MAPT (0.48) ALDH1A1MAPTF10LMNAF2
SCHEMBL7788768 0.81 ATM (0.40) ALDH1A1MAPTF10GAALMNA
SCHEMBL7197225 0.78 MAPT (0.38) ALDH1A1MAPTF10LMNAF2
SCHEMBL7189201 0.77 GAA (0.41) ALDH1A1MAPTGAALMNAKDM4E
SCHEMBL7788746 0.76 SMN1; SMN2 (0.40) ALDH1A1ITGB3ITGA2BSMN1; SMN2HTT
SCHEMBL7789969 0.75 CYP26A1 (0.42) ALDH1A1MAPTF10GAALMNA

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 ALDH1A1 2010/4885MAPT 3865/4885F10 1671/4885

“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.