SCHEMBL5160887

SCHEMBL5160887

CCOC(C(=O)OC(C)(C)C)N1CCC[C@H]1c1ncc(CCC(=O)OC)s1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31

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
SCHEMBL6178048 0.80 ALDH1A1 (0.43) ALDH1A1GLA
SCHEMBL5160587 0.80 ALDH1A1 (0.43) ALDH1A1GLA
Hydrochloric Acid SCHEMBL5160519 0.79 ALDH1A1 (0.42) ALDH1A1GLA
SCHEMBL5162229 0.78 HRH3 (0.33) SMN1; SMN2ALDH1A1HRH3
SCHEMBL5160884 0.75 HRH3 (0.32) HRH3
SCHEMBL14371755 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5160998 0.73 GCK (0.32) ALDH1A1
SCHEMBL5160807 0.73 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1HPGDHRH3
SCHEMBL5158325 0.72 ALDH1A1 (0.32) ALDH1A1HPGD
SCHEMBL14371776 0.72 ALDH1A1 (0.32) ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 SMN1; SMN2 3016/4885ALDH1A1 471/4885KDM4E 1742/4885

“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.