Sugi Predict

Sugi Predict / Compounds / SCHEMBL890099

SCHEMBL890099

SCHEMBL890099

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.41
▸ CTSS P25774 2/20 0.41
▸ EPHX1 P07099 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ TAS1R3 Q7RTX0 3/20 0.34
▸ TAS1R1 Q7RTX1 3/20 0.34
▸ CHRM1 P11229 1/20 0.33
▸ AKR1A1 P14550 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL12661111 1.00 CTSK (0.41) CTSKCTSSEPHX1HDAC7HDAC8
SCHEMBL12630385 1.00 CTSK (0.41) CTSKCTSSEPHX1HDAC7HDAC8
SCHEMBL12661112 0.88 CTSK (0.45) CTSKCTSSEPHX1CA1CA2
SCHEMBL16206243 0.86 ZDHHC7 (0.44) CTSKCTSSEPHX1CA1CA2
SCHEMBL15045574 0.84 SMN1; SMN2 (0.40) CTSKCTSSGAA
SCHEMBL14865083 0.83 TGFBR1 (0.33) TGFBR1GAA
SCHEMBL387926 0.83 TGFBR1 (0.46) CTSKCTSSCHRM1AKR1A1CHRM3
SCHEMBL387925 0.83 TGFBR1 (0.46) CTSKCTSSCHRM1AKR1A1CHRM3
SCHEMBL890124 0.83 CTSK (0.38) CTSKCTSSEPHX1CA1CA2
SCHEMBL8570963 0.83 CTSK (0.38) CTSKCTSSEPHX1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 — — US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 — — US disclosed
EP-2400846-B1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARM INC (US) 2016-10-05 — — EP disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 — — US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 — — US disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 — — US disclosed
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 — — 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-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-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — US disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — 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

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-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS CTSK 1949/4885CTSS 2285/4885EPHX1 2981/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CTSK 789/4885CTSS 864/4885EPHX1 1884/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CTSK 933/4885CTSS 571/4885EPHX1 1769/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CTSK 934/4885CTSS 708/4885EPHX1 3368/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CTSK 2467/4885CTSS 2638/4885EPHX1 2690/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CTSK 2105/4885CTSS 2582/4885EPHX1 3331/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CTSK 2467/4885CTSS 2638/4885EPHX1 2690/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 CTSK 2268/4885CTSS 2269/4885EPHX1 2311/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CTSK 789/4885CTSS 864/4885EPHX1 1884/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CTSK 933/4885CTSS 571/4885EPHX1 1769/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CTSK 789/4885CTSS 864/4885EPHX1 1884/4885

“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.