SCHEMBL5160079

SCHEMBL5160079

COC(=O)CCc1cnc(N2CC[C@H](OC(C)C(=O)OCc3ccccc3)C2)o1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.39
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RPS6KB1 P23443 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
CSNK1A1 P48729 1/20 0.34
EP300 Q09472 2/20 0.34

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
SCHEMBL5160073 0.83 HTT (0.39) HTTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL5161814 0.80 AOC3 (0.39) ACACBSCDSCD5EP300
SCHEMBL5160202 0.72 HTT (0.47) HTTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL5162632 0.69 HRH3 (0.41) ACACBSMN1; SMN2TDP1SCD
SCHEMBL5160862 0.68 CYP11B1 (0.38) HTTNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6174777 0.67 ATM (0.41) HTTATMSMN1; SMN2TDP1
SCHEMBL6174773 0.66 ATM (0.49) ATM
SCHEMBL23034568 0.66 CYP3A4 (0.47)
SCHEMBL26447162 0.65 ALDH1A1 (0.50) HTTATMTDP1
SCHEMBL5160189 0.63 FKBP1A (0.46) HTT

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 ACACB 4485/4885HTT 3765/4885ATM 4472/4885

“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.