SCHEMBL856094

SCHEMBL856094

COC(=O)N[C@H](C(C)=O)C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.38
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.33
PIK3CD O00329 1/20 0.33
ACACB O00763 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MME P08473 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 1/20 0.32
FPR2 P25090 2/20 0.32
KAT2B Q92831 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31

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
SCHEMBL5988912 1.00 AAK1 (0.38) AAK1MAPK1ALDH1A1PIK3CDACACB
SCHEMBL890194 1.00 AAK1 (0.38) AAK1MAPK1ALDH1A1PIK3CDACACB
SCHEMBL18731188 0.94 AAK1 (0.35) AAK1MAPK1ALDH1A1MMP2FPR2
SCHEMBL5989632 0.90 AAK1 (0.32) AAK1MAPK1ACACB
SCHEMBL3268313 0.90 AAK1 (0.32) AAK1MAPK1ACACB
SCHEMBL12402478 0.87 AAK1 (0.32) AAK1ALDH1A1MMP2
SCHEMBL890063 0.87 AAK1 (0.32) AAK1ALDH1A1MMP2
SCHEMBL890115 0.87 AAK1 (0.32) AAK1ALDH1A1MMP2
SCHEMBL903769 0.86 AAK1 (0.38) AAK1MAPK1ALDH1A1MMP1MMP2
SCHEMBL2708029 0.86 PYGL (0.38) AAK1MAPK1ALDH1A1MMP1MMP2

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 67 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-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
EP-3284741-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-02-21 EP disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 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
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 EP disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100260708-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 AAK1 3411/4885MAPK1 3342/4885ALDH1A1 201/4885
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS AAK1 3499/4885MAPK1 3273/4885ALDH1A1 241/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 AAK1 3503/4885MAPK1 2698/4885ALDH1A1 365/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 AAK1 3411/4885MAPK1 3342/4885ALDH1A1 201/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 AAK1 3376/4885MAPK1 3988/4885ALDH1A1 287/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L AAK1 3838/4885MAPK1 3747/4885ALDH1A1 132/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS AAK1 2181/4885MAPK1 2093/4885ALDH1A1 2858/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS AAK1 2181/4885MAPK1 2093/4885ALDH1A1 2858/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 AAK1 3503/4885MAPK1 2698/4885ALDH1A1 365/4885
US-20100260708-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS AAK1 3729/4885MAPK1 4096/4885ALDH1A1 1144/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 AAK1 2967/4885MAPK1 3662/4885ALDH1A1 250/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 AAK1 3503/4885MAPK1 2698/4885ALDH1A1 365/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 AAK1 3453/4885MAPK1 2488/4885ALDH1A1 354/4885
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 AAK1 3453/4885MAPK1 2488/4885ALDH1A1 354/4885

“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.