SCHEMBL3265209

SCHEMBL3265209

COC(=O)N[C@H](C(C)=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
ADAM17 P78536 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
SCHEMBL12661104 1.00 ALDH1A1 (0.33) ALDH1A1CA1CA2CA7ADAM17
SCHEMBL3265337 1.00 ALDH1A1 (0.33) ALDH1A1CA1CA2CA7ADAM17
SCHEMBL890112 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13160461 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL3266622 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13150339 0.83 ALDH1A1 (0.34) ALDH1A1CA1CA2CA7
SCHEMBL3268560 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14943208 0.83 CA1 (0.50) CA1CA2CA7
SCHEMBL6651443 0.83 CA1 (0.50) CA1CA2CA7
SCHEMBL17286332 0.83 GAA (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-20180071270-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
US-20180021436-A1 ATAZANAVIR SULFATE FORMULATIONS WITH IMPROVED Ph EFFECT BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 US disclosed
WO-2011015657-A1 PHENYL ETHYNYL DERIVATIVES AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-02-10 WO disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 WO disclosed
US-7829720-B2 Process for preparing atazanavir bisulfate and novel forms BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 US disclosed
US-20100249190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US disclosed
US-20100178339-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR BRISTOL-MYERS SQUIBB COMPANY 2010-07-15 US disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 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 (11 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-20180071270-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 ALDH1A1 2862/4885CA1 4369/4885CA2 4657/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC ALDH1A1 1148/4885CA1 4836/4885CA2 4707/4885
US-20100249190-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS ALDH1A1 2120/4885CA1 4840/4885CA2 4834/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CA1 4852/4885CA2 4674/4885
US-20100178339-A1 TABLETED COMPOSITIONS CONTAINING ATAZANAVIR ACIN1, ATAD5, PGA5 ALDH1A1 2862/4885CA1 4369/4885CA2 4657/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CA1 4852/4885CA2 4674/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP ALDH1A1 2920/4885CA1 2294/4885CA2 3870/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CA1 4852/4885CA2 4674/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885CA1 4434/4885CA2 4556/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CA1 4852/4885CA2 4674/4885
US-20180021436-A1 ATAZANAVIR SULFATE FORMULATIONS WITH IMPROVED Ph EFFECT ACIN1, SAMHD1, ARSA ALDH1A1 2016/4885CA1 1774/4885CA2 647/4885

“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.