SCHEMBL10201482

SCHEMBL10201482

CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc2cc(B3OC(C)(C)C(C)(C)O3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
PTGES O14684 2/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
HCRTR1 O43613 7/20 0.39
HCRTR2 O43614 7/20 0.39
PRCP P42785 2/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2193239 1.00 USP30 (0.42) USP30PTGESPRMT5WDR77HCRTR1
SCHEMBL204989 1.00 USP30 (0.42) USP30PTGESPRMT5WDR77HCRTR1
SCHEMBL2707099 0.94 HCRTR1 (0.44) USP30HCRTR1HCRTR2
SCHEMBL1293568 0.94 HCRTR1 (0.44) USP30HCRTR1HCRTR2
SCHEMBL203117 0.94 HCRTR1 (0.44) USP30HCRTR1HCRTR2
SCHEMBL14743283 0.93 USP30 (0.40) USP30PTGESHCRTR1HCRTR2PRCP
SCHEMBL14743281 0.93 USP30 (0.40) USP30PTGESHCRTR1HCRTR2PRCP
SCHEMBL15773616 0.91 CHEK2 (0.42) USP30PRMT5WDR77HCRTR1HCRTR2
SCHEMBL2707190 0.88 HCRTR1 (0.43) USP30HCRTR1HCRTR2
SCHEMBL204929 0.88 HCRTR1 (0.43) USP30HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-8809548-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-19 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-20140205564-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-07-24 US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
WO-2012018325-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-09 WO disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
WO-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 WO disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 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 (3 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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS USP30 2534/4885PTGES 2408/4885PRMT5 2429/4885
US-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS USP30 2534/4885PTGES 2408/4885PRMT5 2429/4885
US-20140205564-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS USP30 2534/4885PTGES 2408/4885PRMT5 2429/4885

“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.