SCHEMBL15033871

SCHEMBL15033871

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.46
▸ CTSS P25774 7/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ CAPN1 P07384 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ACE P12821 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL14288950 1.00 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL6121310 0.88 PPARA (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL2433802 0.88 PPARA (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL30759429 0.88 CYP1A2 (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL29727304 0.88 CYP1A2 (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL12436316 0.88 PPARA (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL13390814 0.88 CTSK (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL22382062 0.88 CTSK (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL14125028 0.88 CTSK (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL475730 0.87 CYP1A2 (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186806-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2018-07-05 — — US disclosed
US-20180179175-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2018-06-28 — — US disclosed
US-9868745-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-01-16 — — US disclosed
US-20170342085-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-11-30 — — US disclosed
US-9809600-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2017-11-07 — — US disclosed
US-9682989-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2017-06-20 — — US disclosed
US-9670187-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2017-06-06 — — US disclosed
US-20170145027-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-05-25 — — US disclosed
US-20160362416-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2016-12-15 — — US disclosed
US-20160115175-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2016-04-28 — — US disclosed
US-8921341-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-12-30 — — US disclosed
US-20140316144-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2014-10-23 — — US disclosed
US-20140178336-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2014-06-26 — — US disclosed
US-20140112885-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-04-24 — — US disclosed
US-20140018313-A1 ANTIVIRAL COMPOUNDS Gelead Sciences, Inc. 2014-01-16 — — US disclosed
US-20130309196-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2013-11-21 — — US disclosed
US-8575135-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 — — US disclosed
US-20130177530-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-07-11 — — US disclosed
US-20130164260-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-27 — — US disclosed
US-20130156732-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-06-20 — — 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 (14 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-20140018313-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CTSK 1314/4885CTSS 925/4885CYP1A2 3826/4885
US-20170145027-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CTSK 1681/4885CTSS 1067/4885CYP1A2 4323/4885
US-20130177530-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CTSK 1681/4885CTSS 1067/4885CYP1A2 4323/4885
US-20170342085-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CTSK 1681/4885CTSS 1067/4885CYP1A2 4323/4885
US-20130309196-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CTSK 1681/4885CTSS 1067/4885CYP1A2 4323/4885
US-20180186806-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CTSK 1681/4885CTSS 1067/4885CYP1A2 4323/4885
US-20180179175-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 CTSK 1447/4885CTSS 1169/4885CYP1A2 1069/4885
US-20140112885-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CTSK 1681/4885CTSS 1067/4885CYP1A2 4323/4885
US-20160362416-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CTSK 1681/4885CTSS 1067/4885CYP1A2 4323/4885
US-20130156732-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CTSK 1681/4885CTSS 1067/4885CYP1A2 4323/4885
US-20130164260-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CTSK 1681/4885CTSS 1067/4885CYP1A2 4323/4885
US-20160115175-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CTSK 1681/4885CTSS 1067/4885CYP1A2 4323/4885
US-20140178336-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CTSK 1681/4885CTSS 1067/4885CYP1A2 4323/4885
US-20140316144-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 CTSK 1681/4885CTSS 1067/4885CYP1A2 4323/4885

“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.

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