SCHEMBL330004

SCHEMBL330004

C=CCCCCCC(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
SCHEMBL1937084 1.00 CTSK (0.46) CTSKCTSSALDH1A1TSHRHDAC4
SCHEMBL330005 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 309 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105712901-A Method for synthesizing optically active intermediate N-tert-butoxycarbonyl-2-amino-8-nonenoic dicyclohexylamine salt 成都柏睿泰生物科技有限公司 2016-06-29 CN claimed
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
CN-110041262-B Nitrogen heterocyclic carbene ligand and ruthenium catalyst, preparation method and application thereof 成都开美思商务信息咨询中心(有限合伙) 2020-03-27 CN disclosed
US-20200087265-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2020-03-19 US disclosed
WO-2018236928-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIVERSITY OF MASSACHUSETTS (US) 2018-12-27 WO disclosed
EP-2882754-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-10-03 EP disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2004-12-30 US disclosed
WO-2004093798-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-11-04 WO disclosed
US-20040180815-A1 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors NAKAJIMA SUANNE (US) 2004-09-16 US disclosed
EP-1455809-A2 INHIBITORS OF HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2004-09-15 EP disclosed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 WO disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US disclosed
US-20040038872-A1 Inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY 2004-02-26 US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
WO-2003053349-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, CTSC CTSK 132/4885CTSS 25/4885ALDH1A1 1229/4885
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-20040180815-A1 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 CTSK 141/4885CTSS 32/4885ALDH1A1 1101/4885
US-20200087265-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 CTSK 93/4885CTSS 58/4885ALDH1A1 1277/4885
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-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 CTSK 842/4885CTSS 869/4885ALDH1A1 512/4885
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.