SCHEMBL2433065

SCHEMBL2433065

COC(=O)c1ccc(O[N+]2(C(=O)OC(C)(C)C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MAPT P10636 2/20 0.32
EPHX2 P34913 2/20 0.32
FAAH O00519 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
STS P08842 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
BTK Q06187 1/20 0.30

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
SCHEMBL2434514 0.82 CA1 (0.39) CA1CA2MAPTKMT2AMEN1
SCHEMBL5153248 0.67 PPM1D (0.31)
SCHEMBL14592689 0.66 BACE1 (0.42) MAPTKMT2AMEN1PKMALDH1A1
SCHEMBL8906116 0.66 CA1 (0.56) CA1CA2MAPTKMT2AMEN1
SCHEMBL354259 0.66 MTNR1A (0.39) CA1CA2MAPTKMT2AMEN1
SCHEMBL1665317 0.65 NPC1 (0.49) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL31549583 0.65 KDM4E (0.40) CA1CA2MAPTKMT2AMEN1
SCHEMBL21625235 0.64 RIPK1 (0.40) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL21625230 0.64 RIPK1 (0.40) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL30484291 0.63 NPC1 (0.41) EPHX2KMT2AMEN1ALDH1A1HPGD

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 1361/4885MAPT 4631/4885

“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.