SCHEMBL3877243

SCHEMBL3877243

CCC(NC(=O)OC(C)(C)C)[C@H](O)c1ncc(-c2cc(C)on2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.33
TP53 P04637 3/20 0.33
HSD17B10 Q99714 3/20 0.33
HTT P42858 3/20 0.33
XBP1 P17861 2/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
JAK2 O60674 1/20 0.33
S1PR4 O95977 1/20 0.33
F2 P00734 1/20 0.33
HPGD P15428 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
CTSK P43235 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 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
SCHEMBL3877239 1.00 LMNA (0.33) LMNATP53HSD17B10HTTXBP1
SCHEMBL3874167 0.77 CTSK (0.48) LMNATP53HSD17B10HTTXBP1
SCHEMBL3874168 0.77 CTSK (0.48) LMNATP53HSD17B10HTTXBP1
SCHEMBL8290833 0.76 POLB (0.33) MAPK1GAAALDH1A1
SCHEMBL3876734 0.76 POLB (0.33) MAPK1GAAALDH1A1
SCHEMBL5955823 0.71 CA1 (0.40) LMNATP53HSD17B10HTTXBP1
SCHEMBL5955824 0.71 CA1 (0.40) LMNATP53HSD17B10HTTXBP1
SCHEMBL14427080 0.71 CA1 (0.40) LMNATP53HSD17B10HTTCTSK
SCHEMBL5397999 0.70 CA1 (0.39) LMNATP53HSD17B10CTSKALDH1A1
SCHEMBL6692690 0.70 CA1 (0.39) LMNATP53HSD17B10CTSKALDH1A1

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-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-08-24 US 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-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK LMNA 931/4885TP53 436/4885HSD17B10 3210/4885

“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.