SCHEMBL5896874

SCHEMBL5896874

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 3/20 0.45
POLB P06746 4/20 0.44
GRK2 P25098 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ROCK2 O75116 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
ROCK1 Q13464 1/20 0.42

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
SCHEMBL5896951 0.86 NPSR1 (0.53) LMNAMAPTNPSR1RXFP1TAS1R3
SCHEMBL5896878 0.82 MAPT (0.47) LMNAMAPTNPSR1RXFP1TAS1R3
SCHEMBL5896454 0.78 ITGB1 (0.53) LMNAMAPTNPSR1TAS1R3TAS1R1
SCHEMBL5897280 0.74 ITGB1 (0.53) LMNAMAPTNPSR1KMT2AMEN1
SCHEMBL7299127 0.74 TAS1R3 (0.57) LMNAMAPTNPSR1RXFP1TAS1R3
SCHEMBL7876448 0.74 POLB (0.58) LMNAMAPTNPSR1TAS1R3TAS1R1
SCHEMBL7876199 0.72 HPGD (0.52) LMNAMAPTNPSR1TAS1R3TAS1R1
SCHEMBL5897651 0.72 ROCK2 (0.62) LMNAMAPTTAS1R3TAS1R1ALDH1A1
SCHEMBL7872607 0.71 TAS1R3 (0.53) LMNAMAPTNPSR1TAS1R3TAS1R1
SCHEMBL5897049 0.71 POLB (0.54) LMNAMAPTNPSR1TAS1R3TAS1R1

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 LMNA 2349/4885MAPT 2980/4885NPSR1 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.