SCHEMBL7195679

SCHEMBL7195679

CCOC(=O)CC(NC(=O)C(C)c1ccccc1)c1cccc(N(NC(=N)N)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
F2 P00734 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GPR88 Q9GZN0 11/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
PRSS1 P07477 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
SCHEMBL7788180 0.91 F10 (0.38) F10ALDH1A1MAPTF2KDM4E
SCHEMBL7194808 0.89 F10 (0.42) F10ALDH1A1MAPTF2KDM4E
SCHEMBL7187004 0.87 MAPT (0.48) F10ALDH1A1MAPTF2LMNA
SCHEMBL7197221 0.85 ALDH1A1 (0.37) F10ALDH1A1MAPTF2KDM4E
SCHEMBL7788768 0.84 ATM (0.40) F10ALDH1A1MAPTLMNAITGB3
SCHEMBL7191718 0.81 ALDH1A1 (0.36) ALDH1A1GPR88ITGB3ITGA2B
SCHEMBL7789604 0.79 ALDH1A1 (0.35) ALDH1A1ITGB3ITGA2B
SCHEMBL7788746 0.79 SMN1; SMN2 (0.40) ALDH1A1ITGB3ITGA2B
SCHEMBL7194899 0.77 ITGB3 (0.44) F10ALDH1A1MAPTLMNAITGB3
SCHEMBL7789969 0.77 CYP26A1 (0.42) F10ALDH1A1MAPTF2LMNA

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 F10 1671/4885ALDH1A1 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.