SCHEMBL12598695

SCHEMBL12598695

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.44
▸ CTSS P25774 6/20 0.44
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ PSEN1 P49768 6/20 0.33
▸ PSEN2 P49810 6/20 0.33
▸ APH1B Q8WW43 6/20 0.33
▸ NCSTN Q92542 6/20 0.33
▸ APH1A Q96BI3 6/20 0.33
▸ PSENEN Q9NZ42 6/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ EPHX1 P07099 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
SCHEMBL19578130 0.86 CTSK (0.42) CTSKCTSSCA1CA2CTSL
SCHEMBL8906540 0.85 CTSK (0.41) CTSKCTSSCA1CA2CTSL
SCHEMBL8906526 0.85 CTSK (0.41) CTSKCTSSCA1CA2CTSL
SCHEMBL8907753 0.84 CTSK (0.31) CTSKCTSS
SCHEMBL14930707 0.84 GABRR1 (0.31) CTSKCTSS
SCHEMBL10150853 0.82 GAA (0.33) CTSKCTSS
SCHEMBL8906714 0.82 GAA (0.33) CTSKCTSS
SCHEMBL12229210 0.81 KDM4E (0.39) CTSKCTSSPSEN1PSEN2APH1B
SCHEMBL13223941 0.81 TGFBR1 (0.40) CTSKCTSSCA1CA2CTSL
SCHEMBL19318522 0.81 TGFBR1 (0.40) CTSKCTSSCA1CA2CTSL

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 — — 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-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 — — US disclosed
US-8329159-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 — — US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 — — US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 — — US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — US disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 — — US disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 — — US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 — — US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 — — 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 (7 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-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CTSK 789/4885CTSS 864/4885CA1 4434/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CTSK 789/4885CTSS 864/4885CA1 4434/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CTSK 933/4885CTSS 571/4885CA1 3894/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CTSK 2105/4885CTSS 2582/4885CA1 4384/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS CTSK 789/4885CTSS 864/4885CA1 4434/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CTSK 789/4885CTSS 864/4885CA1 4434/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CTSK 1129/4885CTSS 853/4885CA1 4723/4885

“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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