SCHEMBL2432775

SCHEMBL2432775

O=C(CN1CCC[C@H]1CO)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 12/20 0.54
SPHK1 Q9NYA1 12/20 0.54
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MCHR1 Q99705 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMEL1 Q495T6 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
SCHEMBL10752506 0.85 SPHK2 (0.50) SPHK2SPHK1
SCHEMBL14836855 0.83 MMEL1 (0.52) SPHK1ALDH1A1MAPK1L3MBTL1NPC1
SCHEMBL28152602 0.83 ALDH1A1 (0.46) SPHK1ALDH1A1MAPK1L3MBTL1NPC1
SCHEMBL19656275 0.82 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL21161788 0.82 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL20333005 0.81 ALDH1A1 (0.50) SPHK2ALDH1A1MAPK1L3MBTL1NPC1
SCHEMBL24705627 0.81 SPHK1 (0.50) SPHK1ALDH1A1MAPK1L3MBTL1NPC1
SCHEMBL20966402 0.81 SPHK1 (0.58) SPHK2SPHK1ALDH1A1MAPK1L3MBTL1
SCHEMBL18626013 0.81 SPHK1 (0.50) SPHK1ALDH1A1MAPK1L3MBTL1NPC1
SCHEMBL2430773 0.81 CHRNB2 (0.53) SPHK2

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 SPHK2 2209/4885SPHK1 1799/4885ALDH1A1 981/4885

“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.