SCHEMBL2438306

SCHEMBL2438306

C=CC(OC(O[C@H]1CC[C@H](C(=O)OCC)CC1)N1CCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TSHR P16473 1/20 0.40
CTSL P07711 1/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
FKBP1A P62942 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL2434806 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATSHRCTSL
SCHEMBL71665 0.78 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATSHRCTSL
SCHEMBL2432593 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL2432596 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3576941 0.76 ALDH1A1 (0.46) ALDH1A1MAPTPOLBRAB9ASMN1; SMN2
SCHEMBL4810824 0.76 ALDH1A1 (0.46) ALDH1A1MAPTPOLBRAB9ASMN1; SMN2
SCHEMBL2435399 0.73 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL2435396 0.73 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATSHRMAPT
Trifluoroacetic Acid SCHEMBL4812305 0.72 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL72207 0.71 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ATSHRMAPT

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 ALDH1A1 981/4885MEN1 1582/4885KMT2A 344/4885

“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.