SCHEMBL7189201

SCHEMBL7189201

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ROCK2 O75116 1/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PSMB5 P28074 1/20 0.38
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 2/20 0.37
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36

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
SCHEMBL7189141 0.87 ALDH1A1 (0.40) GAAMAPTHTTALDH1A1LMNA
SCHEMBL7197521 0.84 ALDH1A1 (0.56) MAPTHTTALDH1A1KDM4ELMNA
SCHEMBL7193877 0.80 MAPT (0.43) GAAMAPTHTTALDH1A1KDM4E
SCHEMBL7189215 0.78 GPR88 (0.39) ROCK2MAPTHTTALDH1A1KDM4E
SCHEMBL7190225 0.78 ROCK2 (0.48) ROCK2MAPTALDH1A1KDM4ELMNA
SCHEMBL5003031 0.77 TSHR (0.42) ROCK2MAPTHTTALDH1A1KDM4E
SCHEMBL7194448 0.77 GPR88 (0.45) ALDH1A1KDM4ELMNA
SCHEMBL5003027 0.77 TSHR (0.42) ROCK2MAPTHTTALDH1A1KDM4E
SCHEMBL7197225 0.77 MAPT (0.38) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL7197221 0.77 ALDH1A1 (0.37) GAAMAPTHTTALDH1A1KDM4E

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 GAA 3279/4885ROCK2 2639/4885MAPT 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.