SCHEMBL7102155

SCHEMBL7102155

CC1(C(=O)O)CCC(C(=O)N[C@@H](Cc2ccc(C(O)c3ccccc3)cc2)C(=O)O)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.47
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ITGB1 P05556 3/20 0.41
ITGA4 P13612 3/20 0.41
MME P08473 3/20 0.40
ACE2 Q9BYF1 3/20 0.40
POLB P06746 1/20 0.40
ACE P12821 2/20 0.39
CPA1 P15085 2/20 0.39

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
SCHEMBL7101153 0.87 ITGA4 (0.43) LMNATDP1ITGB1ITGA4MME
SCHEMBL7101158 0.87 ITGA4 (0.43) LMNATDP1ITGB1ITGA4MME
SCHEMBL7097645 0.84 MME (0.49) NPSR1MEN1KMT2AHTTL3MBTL1
SCHEMBL7101955 0.83 PPARG (0.54) NPSR1MEN1KMT2AMMEACE2
SCHEMBL7100747 0.83 ITGA4 (0.51) NPSR1LMNATDP1MEN1KMT2A
SCHEMBL7100744 0.83 ITGA4 (0.51) NPSR1LMNATDP1MEN1KMT2A
SCHEMBL7101959 0.83 PPARG (0.54) NPSR1MEN1KMT2AMMEACE2
SCHEMBL7102583 0.82 NPSR1 (0.53) NPSR1LMNATDP1MEN1KMT2A
SCHEMBL7102575 0.82 NPSR1 (0.53) NPSR1LMNATDP1MEN1KMT2A
SCHEMBL7099118 0.82 ITGB1 (0.48) NPSR1LMNATDP1MEN1KMT2A

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
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP disclosed
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-07-10 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-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion VCAM1, ICAM1, ITGB1 NPSR1 1330/4885LMNA 2264/4885TDP1 1415/4885

“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.