SCHEMBL202944

SCHEMBL202944

CC(C)(C)OC(=O)NC1CCCN(CC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.55
F2 P00734 2/20 0.50
F10 P00742 1/20 0.50
PRSS1 P07477 1/20 0.50
ACE P12821 3/20 0.48
MME P08473 2/20 0.48
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSL P07711 1/20 0.44
SCN9A Q15858 2/20 0.43
CASP1 P29466 1/20 0.42
CMA1 P23946 1/20 0.42

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
SCHEMBL202943 1.00 CASP3 (0.55) CASP3F2F10PRSS1ACE
SCHEMBL2707948 1.00 CASP3 (0.55) CASP3F2F10PRSS1ACE
SCHEMBL4984571 0.97 CASP3 (0.59) CASP3F2F10PRSS1ACE
SCHEMBL4984560 0.97 CASP3 (0.59) CASP3F2F10PRSS1ACE
SCHEMBL17948796 0.94 CASP3 (0.50) CASP3F2F10PRSS1ACE
SCHEMBL14603128 0.85 CASP3 (0.61) CASP3ACEMMECTSLCASP1
SCHEMBL14603132 0.85 CASP3 (0.61) CASP3ACEMMECTSLCASP1
SCHEMBL14641489 0.85 CASP3 (0.61) CASP3ACEMMECTSLCASP1
SCHEMBL7897384 0.84 F2 (0.56) CASP3F2F10PRSS1ACE
SCHEMBL7897381 0.84 F2 (0.56) CASP3F2F10PRSS1ACE

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106588890-B Antiviral compounds 吉利德制药有限责任公司 2020-11-27 CN disclosed
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
EP-3002281-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2016-04-06 EP disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-8273341-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-09-25 US disclosed
CN-102596936-A Antiviral compounds GILEAD SCIENCES INC 2012-07-18 CN disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed
CN-1151166-A 3-Amino-2-oxo-1-piperidineacetic acid derivatives as enzyme inhibitors CORVAS INT INC (US) 1997-06-04 CN 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CASP3 719/4885F2 3415/4885F10 3601/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CASP3 719/4885F2 3415/4885F10 3601/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CASP3 719/4885F2 3415/4885F10 3601/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CASP3 719/4885F2 3415/4885F10 3601/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CASP3 719/4885F2 3415/4885F10 3601/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CASP3 719/4885F2 3415/4885F10 3601/4885

“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.