SCHEMBL330005

SCHEMBL330005

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.46
CTSS P25774 4/20 0.46
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
HDAC4 P56524 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC6 Q9UBN7 2/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TGM2 P21980 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL1937079 1.00 CTSK (0.46) CTSKCTSSALDH1A1TSHRHDAC4
SCHEMBL3683654 1.00 CTSK (0.46) CTSKCTSSALDH1A1TSHRHDAC4
SCHEMBL330004 1.00 CTSK (0.46) CTSKCTSSALDH1A1TSHRHDAC4
SCHEMBL1937084 1.00 CTSK (0.46) CTSKCTSSALDH1A1TSHRHDAC4
SCHEMBL13685180 0.99 CTSK (0.47) CTSKCTSSALDH1A1TSHRHDAC4
SCHEMBL1935450 0.99 CTSK (0.47) CTSKCTSSALDH1A1TSHRHDAC4
SCHEMBL1935453 0.99 CTSK (0.47) CTSKCTSSALDH1A1TSHRHDAC4
SCHEMBL1943039 0.94 CTSK (0.48) CTSKCTSSALDH1A1TSHRHDAC4
SCHEMBL1943040 0.94 CTSK (0.48) CTSKCTSSALDH1A1TSHRHDAC4
SCHEMBL11975698 0.89 CTSK (0.45) CTSKCTSSALDH1A1HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors UNIVERSITY OF MASSACHUSETTS (US) 2025-10-14 US disclosed
US-20230099018-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2023-03-30 US disclosed
US-11472778-B2 Hepatitis C virus NS3/4A protease inhibitors UNIVERSITY OF MASSACHUSETTS (US) 2022-10-18 US disclosed
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2022-07-21 US disclosed
CN-112689507-A Amino acid compounds having unbranched linkers and methods of use thereof 普利安特治疗公司 2021-04-20 CN disclosed
WO-2020247736-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIVERSITY OF MASSACHUSETTS (US) 2020-12-10 WO disclosed
US-20200087265-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2020-03-19 US disclosed
US-10456414-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2019-10-29 US disclosed
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
WO-2004037855-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-05-06 WO disclosed
US-20040038872-A1 Inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2004-02-26 US disclosed
US-20040002448-A1 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-01-01 US disclosed
US-20030224977-A1 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-04 US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO 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
WO-2003064455-A2 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-08-07 WO disclosed
WO-2003053349-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
EP-1169339-A1 MACROCYCLIC PEPTIDES INHIBITING THE HEPATITIS C VIRUS NS3 PROTEASE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-09 EP disclosed
WO-2000059929-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-10-12 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 (9 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-20030224977-A1 Macrocyclic peptides active against the hepatitis C virus CTRL, CPN1, CTRC CTSK 124/4885CTSS 34/4885ALDH1A1 2718/4885
US-11472778-B2 Hepatitis C virus NS3/4A protease inhibitors HAVCR2, CTSC, DPP4 CTSK 93/4885CTSS 58/4885ALDH1A1 1277/4885
US-20040038872-A1 Inhibitors of hepatitis C virus HAVCR2, LIPC, ZC3HAV1 CTSK 251/4885CTSS 295/4885ALDH1A1 576/4885
US-20200087265-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 CTSK 93/4885CTSS 58/4885ALDH1A1 1277/4885
US-10456414-B2 Methods for treating HCV HAVCR2, HCCS, LIPC CTSK 531/4885CTSS 466/4885ALDH1A1 308/4885
US-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors HAVCR2, CTSC, DPP4 CTSK 93/4885CTSS 58/4885ALDH1A1 1277/4885
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 CTSK 93/4885CTSS 58/4885ALDH1A1 1277/4885
US-20040002448-A1 Macrocyclic peptides active against the hepatitis C virus VIP, FURIN, RNASE1 CTSK 444/4885CTSS 232/4885ALDH1A1 1770/4885
US-20230099018-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 CTSK 93/4885CTSS 58/4885ALDH1A1 1277/4885

“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.