SCHEMBL7190239

SCHEMBL7190239

N=C(N)Nc1cccc(S(=O)(=O)Nc2cccc(C(CC(=O)NCCC(=O)O)c3ccccc3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
AURKA O14965 2/20 0.39
AURKB Q96GD4 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
ITGB3 P05106 2/20 0.38
ITGAV P06756 2/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL7195684 0.89 AURKA (0.44) ALDH1A1LMNAMAPTCA1CA2
SCHEMBL7862046 0.88 ITGB3 (0.45) MAPTCA1CA2MEN1KMT2A
SCHEMBL7864759 0.82 MEN1 (0.48) LMNAMAPTCA1CA2SMN1; SMN2
SCHEMBL13715863 0.81 PKM (0.46) ALDH1A1LMNAMAPTCA1CA2
SCHEMBL7863164 0.80 MEN1 (0.43) ALDH1A1LMNAMAPTCA1CA2
SCHEMBL7856528 0.80 MEN1 (0.43) LMNAMAPTCA1CA2SMN1; SMN2
SCHEMBL7856530 0.80 CA1 (0.54) MAPTCA1CA2MEN1KMT2A
SCHEMBL7864762 0.79 CA1 (0.42) MAPTCA1CA2MEN1KMT2A
SCHEMBL7864212 0.79 MEN1 (0.41) ALDH1A1LMNAMAPTCA1CA2
SCHEMBL6366667 0.79 ITGB3 (0.60) ALDH1A1CA1CA2L3MBTL1ITGB3

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 2010/4885LMNA 2949/4885MAPT 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.