SCHEMBL2432748

SCHEMBL2432748

Cc1ccccc1Nc1nc2cc(CC(=O)O)ccc2o1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
TP53 P04637 1/20 0.60
PKM P14618 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GAA P10253 1/20 0.54
C1R P00736 1/20 0.51
IL6 P05231 1/20 0.48
STAT3 P40763 1/20 0.48
ITGA4 P13612 7/20 0.48
HPSE Q9Y251 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
ITGB1 P05556 1/20 0.46

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
SCHEMBL2429466 0.91 ITGA4 (0.56) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL2434873 0.89 NPC1 (0.58) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL2432782 0.86 CSNK1D (0.47) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL31430615 0.84 GAA (0.56) NPC1RAB9APKMSMN1; SMN2GAA
SCHEMBL6593703 0.84 HDAC6 (0.62) NPC1RAB9APKMSMN1; SMN2GAA
SCHEMBL12327643 0.83 NPC1 (0.63) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL4679538 0.81 TP53 (0.47) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL31430448 0.80 GAA (0.55) NPC1RAB9AGAAIL6STAT3
SCHEMBL5271980 0.80 ITGA4 (0.55) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL2435619 0.80 ITGA4 (0.53) NPC1RAB9ATP53PKMSMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 NPC1 1278/4885RAB9A 2530/4885TP53 3952/4885

“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.