Sugi Predict

Sugi Predict / Compounds / SCHEMBL704892

SCHEMBL704892

SCHEMBL704892

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.45
▸ CTSS P25774 5/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CTSL P07711 2/20 0.37
▸ CTSB P07858 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL704891 1.00 CTSK (0.45) CTSKCTSSSMN1; SMN2CA1CA2
SCHEMBL8038968 1.00 CTSK (0.45) CTSKCTSSSMN1; SMN2CA1CA2
SCHEMBL30170319 0.87 SMN1; SMN2 (0.44) CTSKCTSSSMN1; SMN2CA1CA2
SCHEMBL8059821 0.87 SMN1; SMN2 (0.44) CTSKCTSSSMN1; SMN2CA1CA2
SCHEMBL865650 0.85 ALDH1A1 (0.32) SMN1; SMN2CYP2D6GAA
SCHEMBL15668808 0.85 CTSK (0.42) CTSKCTSSSMN1; SMN2CA1CA2
SCHEMBL15668708 0.85 CTSK (0.42) CTSKCTSSSMN1; SMN2CA1CA2
SCHEMBL1536360 0.82 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL18799498 0.82 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL10190348 0.82 CTSK (0.49) CTSKCTSSCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120202211-A Cyclic compounds having selective KRAS inhibition over HRAS and NRAS 中外制药株式会社 2025-06-24 — — CN disclosed
CN-119731195-A Cyclic compounds having selective inhibition of KRAS over HRAS and NRAS 中外制药株式会社 2025-03-28 — — CN disclosed
EP-4294802-A1 CRYPTOPHYCIN COMPOUNDS AND CONJUGATES THEREOF Universität Bielefeld (DE) 2023-12-27 — — EP disclosed
CN-117279933-A Cyclic compounds having selective KRAS inhibition relative to HRAS and NRAS 中外制药株式会社 2023-12-22 — — CN disclosed
WO-2022175222-A1 CRYPTOPHYCIN COMPOUNDS AND CONJUGATES THEREOF UNIVERSITÄT BIELEFELD (DE) 2022-08-25 — — WO disclosed
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2015-12-31 — — US disclosed
EP-2143727-B1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2015-01-21 — — EP disclosed
US-8236807-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-08-07 — — US disclosed
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 — — US disclosed
US-RE42375-E1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-05-17 — — US disclosed
US-7368452-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-05-06 — — US disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 — — US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 — — US disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 — — US disclosed
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2004-12-30 — — US disclosed
EP-1169339-B1 MACROCYCLIC PEPTIDES INHIBITING THE HEPATITIS C VIRUS NS3 PROTEASE BOEHRINGER INGELHEIM CA LTD (CA) 2004-09-29 — — EP disclosed
US-20040180815-A1 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors NAKAJIMA SUANNE (US) 2004-09-16 — — US disclosed
EP-1437362-A1 Macrocyclic peptides inhibiting the hepatitis C virus ns3 protease BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-07-14 — — EP disclosed
US-20040002448-A1 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-01-01 — — US disclosed
US-6608027-B1 Macrocyclic small peptides of low molecular weight that are inhibitory to NS3 protease of hepatitis C virus BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2003-08-19 — — 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 (6 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-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, CTSC CTSK 132/4885CTSS 25/4885SMN1; SMN2 3792/4885
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 CTSK 161/4885CTSS 23/4885SMN1; SMN2 2921/4885
US-20040180815-A1 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 CTSK 141/4885CTSS 32/4885SMN1; SMN2 3078/4885
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS MB, ALB, BCAT2 CTSK 3392/4885CTSS 2348/4885SMN1; SMN2 1226/4885
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN CTSK 133/4885CTSS 27/4885SMN1; SMN2 3819/4885
US-20040002448-A1 Macrocyclic peptides active against the hepatitis C virus VIP, FURIN, RNASE1 CTSK 444/4885CTSS 232/4885SMN1; SMN2 2976/4885

“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.