SCHEMBL9005877

SCHEMBL9005877

CC(C)(C)OC(=O)N1CC2[C@@H]([C@H]1C(=O)O)C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
NR1H2 P55055 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
RORC P51449 2/20 0.32
USP2 O75604 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
SCHEMBL4308133 1.00 HSD17B10 (0.37) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL16349058 1.00 HSD17B10 (0.37) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL14401914 1.00 HSD17B10 (0.37) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL13689098 1.00 HSD17B10 (0.37) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL8353738 1.00 HSD17B10 (0.37) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL14451045 1.00 HSD17B10 (0.37) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL13305538 1.00 HSD17B10 (0.37) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL4304713 0.88 NR1H2 (0.34) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL4311042 0.88 NR1H2 (0.34) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL16843376 0.87 NR1H2 (0.35) HSD17B10NR1H2CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11452711-B2 Nitrile-containing antiviral compounds PFIZER INC. (US) 2022-09-27 US disclosed
US-20160326216-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-11-10 US disclosed
US-9422333-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-08-23 US disclosed
US-20150175657-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2015-06-25 US disclosed
US-8980935-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-03-17 US disclosed
US-8524760-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2013-09-03 US disclosed
US-20120190614-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-07-26 US disclosed
US-8188137-B2 HCV protease inhibitors and uses thereof AVILA THERAPEUTICS, INC. (US) 2012-05-29 US disclosed
US-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease SCHERING CORPORATION 2011-06-23 US disclosed
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS AVILA THERAPEUTICS, INC. (US) 2010-07-22 US disclosed
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 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 (7 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-20120190614-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HSD17B10 877/4885NR1H2 1970/4885SMN1; SMN2 4140/4885
US-11452711-B2 Nitrile-containing antiviral compounds ACE2, NOS2, EIF2AK2 HSD17B10 3574/4885NR1H2 1773/4885SMN1; SMN2 1912/4885
US-20160326216-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HSD17B10 877/4885NR1H2 1970/4885SMN1; SMN2 4140/4885
US-20150175657-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HSD17B10 877/4885NR1H2 1970/4885SMN1; SMN2 4140/4885
US-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease TMPRSS15, SPINT2, HPN HSD17B10 1134/4885NR1H2 2482/4885SMN1; SMN2 3511/4885
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS CDKN1A, SERPINB1, SPR HSD17B10 2728/4885NR1H2 3845/4885SMN1; SMN2 4842/4885
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC HSD17B10 877/4885NR1H2 1970/4885SMN1; SMN2 4140/4885

“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.