SCHEMBL7187004

SCHEMBL7187004

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
F10 P00742 3/20 0.40
F2 P00734 3/20 0.38
POLB P06746 1/20 0.38
GRK2 P25098 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EEF2K O00418 3/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37

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
SCHEMBL7194808 0.88 F10 (0.42) MAPTALDH1A1KMT2AMEN1F10
SCHEMBL7195679 0.87 F10 (0.38) MAPTALDH1A1F10F2LMNA
SCHEMBL7198475 0.87 ALDH1A1 (0.44) MAPTALDH1A1KMT2AMEN1ATM
SCHEMBL7788180 0.86 F10 (0.38) MAPTALDH1A1ATMF10F2
SCHEMBL7790163 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1ATML3MBTL1
SCHEMBL7197221 0.83 ALDH1A1 (0.37) MAPTALDH1A1KMT2AMEN1F10
SCHEMBL7785635 0.83 ATM (0.52) ALDH1A1KMT2AATML3MBTL1F10
SCHEMBL7785590 0.83 ATM (0.42) ALDH1A1KMT2AATML3MBTL1EEF2K
SCHEMBL7786192 0.83 EEF2K (0.52) ALDH1A1KMT2AMEN1ATML3MBTL1
SCHEMBL7788768 0.83 ATM (0.40) MAPTALDH1A1ATML3MBTL1F10

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 3865/4885ALDH1A1 2010/4885KMT2A 2270/4885

“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.