SCHEMBL19702001

SCHEMBL19702001

CC1C[C@@H](c2nc3ccc(B4OC(C)(C)C(C)(C)O4)cc3[nH]2)N(C(=O)OC(C)(C)C)[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
HCRTR1 O43613 9/20 0.33
HCRTR2 O43614 9/20 0.33
CHEK2 O96017 3/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL14929987 1.00 USP30 (0.38) USP30PRMT5WDR77BACE1BACE2
SCHEMBL19414609 0.89 USP30 (0.37) USP30PRMT5WDR77BACE1BACE2
SCHEMBL19414601 0.89 USP30 (0.37) USP30PRMT5WDR77BACE1BACE2
SCHEMBL17948104 0.89 USP30 (0.38) USP30PRMT5WDR77BACE1BACE2
SCHEMBL20484314 0.89 USP30 (0.38) USP30PRMT5WDR77BACE1BACE2
SCHEMBL17947975 0.89 USP30 (0.38) USP30PRMT5WDR77BACE1BACE2
SCHEMBL1293339 0.89 USP30 (0.38) USP30PRMT5WDR77BACE1BACE2
SCHEMBL1293338 0.89 USP30 (0.38) USP30PRMT5WDR77BACE1BACE2
SCHEMBL19414547 0.89 USP30 (0.38) USP30PRMT5WDR77BACE1BACE2
SCHEMBL16948373 0.88 USP30 (0.40) USP30PRMT5WDR77BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL USP30 2386/4885PRMT5 2358/4885WDR77 3764/4885

“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.