SCHEMBL7198477

SCHEMBL7198477

CCOC(=O)CC(NS(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2cccc(NC(=N)N)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 1/20 0.45
PLAU P00749 2/20 0.43
HPN P05981 1/20 0.43
MEN1 O00255 9/20 0.43
KMT2A Q03164 9/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
F10 P00742 2/20 0.42
NPC1 O15118 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 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
SCHEMBL7187012 0.89 MAPT (0.47) MAPTALDH1A1PLAUMEN1KMT2A
SCHEMBL7194759 0.88 ITGB3 (0.52) ALDH1A1MEN1KMT2AITGB3ITGAV
SCHEMBL7194809 0.83 F10 (0.43) MAPTPLAUMEN1KMT2ALMNA
SCHEMBL6368243 0.83 ITGB3 (0.57) ALDH1A1MEN1KMT2AITGB3ITGAV
SCHEMBL7452996 0.79 ITGB3 (0.59) MAPTPLAUHPNMEN1KMT2A
SCHEMBL7378012 0.79 ITGB3 (0.59) MAPTPLAUHPNMEN1KMT2A
SCHEMBL7198475 0.79 ALDH1A1 (0.44) MAPTALDH1A1PLAUHPNMEN1
SCHEMBL3837360 0.78 ALDH1A1 (0.54) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL3839471 0.78 GPR139 (0.47) MEN1KMT2AITGB3ITGAVF10
SCHEMBL3834077 0.78 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2ALMNA

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 2010/4885PLAU 1840/4885

“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.