SCHEMBL7097645

SCHEMBL7097645

CC1(C)[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)O)CC[C@@]1(C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.49
ACE P12821 5/20 0.49
CPA1 P15085 2/20 0.49
ACE2 Q9BYF1 2/20 0.49
NPSR1 Q6W5P4 3/20 0.47
PIN1 Q13526 2/20 0.46
CA2 P00918 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALB P02768 1/20 0.44
IL2 P60568 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL7103977 0.91 MEN1 (0.48) MMEACECPA1ACE2NPSR1
SCHEMBL7104420 0.89 TACR1 (0.51) NPSR1MEN1KMT2A
SCHEMBL7105474 0.87 NR1H4 (0.47) NPSR1MEN1KMT2A
SCHEMBL7105470 0.87 NR1H4 (0.47) NPSR1MEN1KMT2A
SCHEMBL7103519 0.85 TRHDE (0.50) MMEACECPA1ACE2NPSR1
SCHEMBL7103521 0.85 TRHDE (0.50) MMEACECPA1ACE2NPSR1
SCHEMBL7102155 0.84 NPSR1 (0.47) MMEACECPA1ACE2NPSR1
SCHEMBL7098661 0.84 MME (0.53) MMEACECPA1ACE2NPSR1
SCHEMBL7098660 0.84 MME (0.53) MMEACECPA1ACE2NPSR1
SCHEMBL7101959 0.83 PPARG (0.54) MMEACECPA1ACE2NPSR1

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 4 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-6596752-B1 Small molecules that are potent inhibitors of alpha 4 beta 1 mediated adhesion to either VCAM or CS-1 and which could be useful for the treatment of inflammatory diseases. TANABE SEIYAKU CO., LTD. (JP) 2003-07-22 US disclosed
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-07-10 US disclosed
US-6482849-B1 Inhibitors of α4β1 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2002-11-19 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 MME 2874/4885ACE 1783/4885CPA1 77/4885

“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.