Sugi Predict

Sugi Predict / Compounds / SCHEMBL6885249

SCHEMBL6885249

SCHEMBL6885249

CCOP(=O)(CC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CTSK P43235 10/20 0.38
▸ CTSS P25774 5/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ CTSL P07711 1/20 0.35
▸ CAPN1 P07384 1/20 0.34
▸ GSTP1 P09211 1/20 0.34
▸ GSTM2 P28161 1/20 0.34
▸ KLK5 Q9Y337 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL29273731 0.89 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL29273728 0.89 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL1111203 0.82 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL524452 0.82 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL524451 0.82 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL12417783 0.82 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL22444303 0.80 CTSK (0.47) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL22444306 0.80 CTSK (0.47) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL26451467 0.79 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL13076509 0.76 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTCTSK

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 16 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-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2017-05-18 — — US disclosed
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2016-08-25 — — US disclosed
US-20150031106-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-01-29 — — US disclosed
US-8741837-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-03 — — US 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
US-8309685-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2012-11-13 — — US disclosed
US-8293705-B2 HCV protease inhibitors and uses thereof AVILA THERAPEUTICS, INC. (US) 2012-10-23 — — US disclosed
US-8293705-B2 HCV protease inhibitors and uses thereof AVILA THERAPEUTICS, INC. (US) 2012-10-23 — — US disclosed
WO-2011002807-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-01-06 — — WO disclosed
WO-2011002808-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-01-06 — — WO disclosed
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-03-18 — — US disclosed
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-03-18 — — US disclosed
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 — — US disclosed
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 — — 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 (6 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-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CYP1A2 774/4885CYP2C9 401/4885CYP2C19 530/4885
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CYP1A2 774/4885CYP2C9 401/4885CYP2C19 530/4885
US-20170137463-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CYP1A2 774/4885CYP2C9 401/4885CYP2C19 530/4885
US-20160243249-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CYP1A2 774/4885CYP2C9 401/4885CYP2C19 530/4885
US-20150031106-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CYP1A2 774/4885CYP2C9 401/4885CYP2C19 530/4885
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CYP1A2 774/4885CYP2C9 401/4885CYP2C19 530/4885

“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.