SCHEMBL203567

SCHEMBL203567

COC(=O)NCC(C)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
EPHX1 P07099 1/20 0.35
RAB9A P51151 1/20 0.34
BHMT Q93088 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL863814 1.00 MAPT (0.37) MAPTCYP2D6CYP2C19EPHX1RAB9A
SCHEMBL14445073 0.84 MAPT (0.42) MAPTCYP2D6CYP2C19EPHX1RAB9A
SCHEMBL14842764 0.82 GAA (0.41) CYP2D6CYP2C19RAB9AEGLN1ALDH1A1
SCHEMBL1262597 0.81 MEN1 (0.47) CYP2D6TDP1
SCHEMBL4740871 0.81 MEN1 (0.47) CYP2D6TDP1
SCHEMBL6945578 0.81 MEN1 (0.47) CYP2D6TDP1
SCHEMBL6120869 0.80 EPHX1 (0.41) EPHX1BHMTEGLN1HRH4HRH3
SCHEMBL12654925 0.78 HRH4 (0.42) MAPTCYP2D6CYP2C19EPHX1RAB9A
SCHEMBL12872128 0.78 HRH4 (0.42) MAPTCYP2D6CYP2C19EPHX1RAB9A
SCHEMBL17298064 0.77 CACNA2D1 (0.52) MAPTCYP2D6CYP2C19EGLN1MME

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 95 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-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 EP disclosed
EP-2709613-B2 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2020-08-12 EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
US-10456414-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2019-10-29 US disclosed
CN-109456375-B A kind of heterocycle compound containing monosaccharide groups and preparation method inhibiting hepatitis C virus 枣庄学院 2019-10-22 CN disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 US disclosed
CN-109456375-A A kind of heterocycle compound containing monosaccharide groups and preparation method inhibiting hepatitis C virus 枣庄学院 2019-03-12 CN disclosed
CN-104744444-B The fluoro- 9,10 dihydro phenanthrene class hepatitis C virus inhibitors of 9,9,10,10- tetra- and its application 南京圣和药业股份有限公司 2019-02-26 CN disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20110306541-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2011-12-15 US disclosed
EP-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 EP disclosed
WO-2011059850-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 WO 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
WO-2010120621-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-21 WO disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 WO disclosed
WO-2010111483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO 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-20110306541-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC MAPT 3587/4885CYP2D6 2954/4885CYP2C19 3922/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 MAPT 2923/4885CYP2D6 2617/4885CYP2C19 3298/4885
US-10456414-B2 Methods for treating HCV HAVCR2, HCCS, LIPC MAPT 3587/4885CYP2D6 2954/4885CYP2C19 3922/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPT 2923/4885CYP2D6 2617/4885CYP2C19 3298/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MAPT 2923/4885CYP2D6 2617/4885CYP2C19 3298/4885

“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.