SCHEMBL7103438

SCHEMBL7103438

COC(=O)[C@H](Cc1cn(Cc2ccc(Cl)cc2Cl)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 3/20 0.45
MC4R P32245 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
IDO1 P14902 2/20 0.41
AKT3 Q9Y243 1/20 0.40
CTSL P07711 1/20 0.40
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KLK5 Q9Y337 1/20 0.38
NPC1 O15118 1/20 0.38
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37

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
SCHEMBL19508750 0.83 KLK5 (0.51) CTSLKLK5PPARGPPARA
SCHEMBL7101154 0.81 HDAC8 (0.39) SMN1; SMN2TP53ALDH1A1GAAAKT3
SCHEMBL8347877 0.78 CPB2 (0.54) KLK5
SCHEMBL8349511 0.77 CPB2 (0.42) KLK5
SCHEMBL23295343 0.76 KLK5 (0.46) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL23295346 0.76 KLK5 (0.46) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL13617960 0.76 CYP3A4 (0.36) KLK5
SCHEMBL31277258 0.76 MAPT (0.49) SMN1; SMN2TP53MC4RALDH1A1MAPT
SCHEMBL8345705 0.76 KLK5 (0.49) CTSLKLK5PPARGPPARA
SCHEMBL5358340 0.76 MAPT (0.46) MAPTKDM4ECTSLKLK5PPARG

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 5 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
EP-0991619-A1 INHIBITORS OF $g(a) 4?$g(b) 1?MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-04-12 EP disclosed
WO-1998058902-A1 INHIBITORS OF α4β1MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1998-12-30 WO 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 SMN1; SMN2 3398/4885TP53 2938/4885MC4R 2977/4885

“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.