SCHEMBL7104420

SCHEMBL7104420

CC1(C)[C@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)OCc2ccccc2)CC[C@@]1(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.51
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48
CTSL P07711 1/20 0.48
CAPN1 P07384 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
F2 P00734 1/20 0.42
CTSK P43235 1/20 0.41
CYP3A4 P08684 5/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
CASP1 P29466 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL7097645 0.89 MME (0.49) NPSR1MEN1KMT2A
SCHEMBL7103977 0.84 MEN1 (0.48) NPSR1MEN1KMT2A
SCHEMBL7102218 0.83 PPARG (0.54) NPSR1MEN1KMT2ACYP3A4TSHR
SCHEMBL7102219 0.83 PPARG (0.54) NPSR1MEN1KMT2ACYP3A4TSHR
SCHEMBL7098661 0.81 MME (0.53) NPSR1MEN1KMT2A
SCHEMBL7098660 0.81 MME (0.53) NPSR1MEN1KMT2A
SCHEMBL7101955 0.80 PPARG (0.54) NPSR1MEN1KMT2A
SCHEMBL7101959 0.80 PPARG (0.54) NPSR1MEN1KMT2A
SCHEMBL7105474 0.77 NR1H4 (0.47) NPSR1MEN1KMT2A
SCHEMBL7105470 0.77 NR1H4 (0.47) NPSR1MEN1KMT2A

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 TACR1 2273/4885CTSB 1526/4885CTSS 1816/4885

“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.