SCHEMBL2432782

SCHEMBL2432782

Cc1cc(CC(=O)O)ccc1Nc1nc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
PKM P14618 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ITGA4 P13612 6/20 0.46
C1R P00736 1/20 0.45
USP2 O75604 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ITGB1 P05556 1/20 0.44

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 0.86 ITGA4 (0.56) NPC1RAB9ASMN1; SMN2PKMGAA
SCHEMBL2432748 0.86 NPC1 (0.60) NPC1RAB9ASMN1; SMN2PKMGAA
SCHEMBL2433790 0.86 NPC1 (0.59) CSNK1DNPC1RAB9ASMN1; SMN2PKM
SCHEMBL14592230 0.85 MAPT (0.46) CSNK1DNPC1RAB9ASMN1; SMN2PKM
SCHEMBL31430615 0.84 GAA (0.56) CSNK1DNPC1RAB9ASMN1; SMN2PKM
SCHEMBL2429205 0.80 NPC1 (0.66) CSNK1DNPC1RAB9ASMN1; SMN2PKM
SCHEMBL4679538 0.77 TP53 (0.47) NPC1RAB9ASMN1; SMN2PKMGAA
SCHEMBL2436176 0.77 NPC1 (0.59) CSNK1DNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2432781 0.77 C1R (0.51) CSNK1DNPC1RAB9AGAAMEN1
SCHEMBL2437918 0.77 NPC1 (0.56) CSNK1DNPC1RAB9ASMN1; SMN2PKM

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 CSNK1D 1461/4885NPC1 1278/4885RAB9A 2530/4885

“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.