SCHEMBL1066622

SCHEMBL1066622

CC(C)(C)OC(=O)[C@](N)(CN)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
GGT1 P19440 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28721112 1.00 DGAT1 (0.39) DGAT1KDM4ESMN1; SMN2HIF1AGGT1
SCHEMBL609386 1.00 DGAT1 (0.39) DGAT1KDM4ESMN1; SMN2HIF1AGGT1
SCHEMBL18817843 0.89 DGAT1 (0.43) DGAT1KDM4E
SCHEMBL7705520 0.84 DGAT1 (0.41) DGAT1KDM4ESMN1; SMN2GGT1MEN1
SCHEMBL1066048 0.84 DGAT1 (0.41) DGAT1KDM4ESMN1; SMN2GGT1MEN1
SCHEMBL1422856 0.83 DGAT1 (0.39) DGAT1SMN1; SMN2HIF1AGGT1MEN1
SCHEMBL4366521 0.83 DGAT1 (0.39) DGAT1SMN1; SMN2HIF1AGGT1MEN1
SCHEMBL4366519 0.83 DGAT1 (0.39) DGAT1SMN1; SMN2HIF1AGGT1MEN1
SCHEMBL3286466 0.83 DGAT1 (0.39) DGAT1SMN1; SMN2HIF1AGGT1MEN1
SCHEMBL5498917 0.82 DGAT1 (0.52) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9694086-B2 HCV protease inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-07-04 US disclosed
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-08-25 US disclosed
US-20160235805-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-08-18 US disclosed
US-9163061-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-10-20 US disclosed
CN-104557861-A Hcv protease inhibitors and uses thereof AVILA THERAPEUTICS INC 2015-04-29 CN disclosed
CN-101951770-B Hcv protease inhibitors and uses thereof AVILA THERAPEUTICS INC 2014-12-31 CN disclosed
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-23 US disclosed
US-8309685-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2012-11-13 US disclosed
CN-101951770-A Hcv protease inhibitors and uses thereof AVILA THERAPEUTICS INC 2011-01-19 CN disclosed
WO-2011002807-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-01-06 WO disclosed
EP-2237667-A1 HCV PROTEASE INHIBITORS AND USES THEREOF Avila Therapeutics, Inc. (US) 2010-10-13 EP disclosed
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-03-18 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 US disclosed
WO-2009082697-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-02 WO disclosed
CN-1130351-C 1,5-benzodiazepine derivatives ZERIA PHARM CO LTD (JP) 2003-12-10 CN disclosed
CN-1246850-A 1,5-benzodiazepine derivatives ZERIA PHARM CO LTD (JP) 2000-03-08 CN disclosed
US-5670479-A α-ketoamide derivatives as inhibitors of thrombosis CORVAS INTERNATIONAL, INC. (US) 1997-09-23 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 (5 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-20160235805-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC DGAT1 1519/4885KDM4E 2889/4885SMN1; SMN2 4140/4885
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC DGAT1 1519/4885KDM4E 2889/4885SMN1; SMN2 4140/4885
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC DGAT1 1519/4885KDM4E 2889/4885SMN1; SMN2 4140/4885
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC DGAT1 1519/4885KDM4E 2889/4885SMN1; SMN2 4140/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC DGAT1 1519/4885KDM4E 2889/4885SMN1; 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.