SCHEMBL2435548

SCHEMBL2435548

COC[C@@H]1C[C@H]2CO[C@H](c3ccccc3)N2C1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
NR3C2 P08235 1/20 0.32
LMNA P02545 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC6A3 Q01959 5/20 0.30
SLC6A2 P23975 3/20 0.30
SLC6A4 P31645 3/20 0.30
TSHR P16473 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
SCHEMBL12327949 1.00 MAPK1 (0.33) MAPK1NR3C2LMNAADORA3ALDH1A1
SCHEMBL13040523 0.85 SCN3A (0.32)
SCHEMBL13128242 0.85 SCN3A (0.32)
SCHEMBL11930533 0.85 LMNA (0.36) LMNAADORA3ALDH1A1TSHR
SCHEMBL31460209 0.83 L3MBTL1 (0.34) LMNAALDH1A1
SCHEMBL8170961 0.83 ALDH1A1 (0.38) LMNAADORA3ALDH1A1TSHR
SCHEMBL9697798 0.83 DHFR (0.33) LMNAADORA3ALDH1A1TSHR
SCHEMBL2809476 0.83 ALDH1A1 (0.38) LMNAADORA3ALDH1A1TSHR
SCHEMBL9696668 0.83 DHFR (0.33) LMNAADORA3ALDH1A1TSHR
SCHEMBL14256287 0.82 HSD11B1 (0.40) LMNAALDH1A1TSHR

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 MAPK1 485/4885NR3C2 32/4885LMNA 2852/4885

“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.