SCHEMBL2435701

SCHEMBL2435701

O=C1CCC(=O)N1Cc1ccc(O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ ERCC1 P07992 1/20 0.51
▸ ERCC4 Q92889 1/20 0.51
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ GAA P10253 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ APEX1 P27695 2/20 0.44
▸ THPO P40225 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ RGS12 O14924 1/20 0.44
▸ LMNA P02545 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
SCHEMBL5072436 0.79 MGLL (0.63) CA1CA2ERCC1ERCC4CA4
SCHEMBL28159815 0.76 ERCC1 (0.57) CA1CA2ERCC1ERCC4CA4
SCHEMBL6446921 0.74 CA1 (0.53) CA1CA2CA12CA9CA4
SCHEMBL5766969 0.74 KMT2A (0.73) CA1CA2CA12CA9MAPT
SCHEMBL13943755 0.73 KMT2A (0.53) CA1CA2CA12CA9KDM4E
SCHEMBL108090 0.72 CA1 (0.54) CA1CA2ERCC1ERCC4CA4
Dopamine SCHEMBL28438940 0.71 KDM4E (0.66) KDM4EGAAPKMMAPTAPEX1
SCHEMBL40711 0.71 KMT2A (0.59) CA1CA2CA12CA9MAPT
SCHEMBL19002513 0.71 ALDH1A1 (0.66) CA1CA2CA12CA9GAA
SCHEMBL5767794 0.71 CA12 (0.58) CA1CA2CA12CA9KDM4E

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-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-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 CA1 1631/4885CA2 1361/4885CA12 1532/4885

“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.

Send feedback