SCHEMBL5896878

SCHEMBL5896878

CCOC(=O)CC(NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1)c1ccc(OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.45
ROCK2 O75116 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 3/20 0.42
THRB P10828 3/20 0.42
MAPK1 P28482 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
SCHEMBL5897049 0.88 POLB (0.54) MAPTLMNANPSR1TAS1R3TAS1R1
SCHEMBL5896951 0.86 NPSR1 (0.53) MAPTLMNANPSR1TAS1R3TAS1R1
SCHEMBL5896874 0.82 LMNA (0.49) MAPTLMNANPSR1TAS1R3TAS1R1
SCHEMBL5896459 0.77 ITGB1 (0.53) MAPTLMNANPSR1KMT2AMEN1
SCHEMBL7876199 0.76 HPGD (0.52) MAPTLMNANPSR1TAS1R3TAS1R1
SCHEMBL20154292 0.76 AAK1 (0.43) MAPTTAS1R3TAS1R1KMT2AALDH1A1
SCHEMBL20154372 0.76 AAK1 (0.43) MAPTTAS1R3TAS1R1KMT2AALDH1A1
SCHEMBL20154293 0.76 AAK1 (0.43) MAPTTAS1R3TAS1R1KMT2AALDH1A1
SCHEMBL7876448 0.76 POLB (0.58) MAPTLMNANPSR1TAS1R3TAS1R1
SCHEMBL30594182 0.75 NPC1 (0.40) MAPTTAS1R3TAS1R1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091242-B2 Beta-amino acid derivatives as integrin receptor antagonists BAYER AKTIENGESELLSCHAFT (DE) 2006-08-15 US disclosed
US-20040058904-A1 Beta-amino acid derivatives as integrin receptor antagonists BAYER AKTIENGESELLSCHAFT (DE) 2004-03-25 US 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-20040058904-A1 Beta-amino acid derivatives as integrin receptor antagonists ITGAL, ITGB1, ITGB2 MAPT 2980/4885LMNA 2349/4885NPSR1 344/4885

“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.