SCHEMBL3081722

SCHEMBL3081722

CC(C)C(C)C(N)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.68
SLC1A3 P43003 3/20 0.44
SLC1A2 P43004 3/20 0.44
SLC1A1 P43005 2/20 0.44
TP53 P04637 1/20 0.40
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
GABRP O00591 4/20 0.35
GABRD O14764 4/20 0.35
GABRA1 P14867 4/20 0.35
GABRB1 P18505 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 4/20 0.35
GABRA3 P34903 4/20 0.35
GABRA2 P47869 4/20 0.35
GABRB2 P47870 4/20 0.35
GABRA4 P48169 4/20 0.35
GABRE P78334 4/20 0.35
GABRA6 Q16445 4/20 0.35

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
SCHEMBL196696 1.00 SLC7A5 (0.68) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL197140 1.00 SLC7A5 (0.68) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL4588481 1.00 SLC7A5 (0.68) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL5966382 1.00 SLC7A5 (0.68) SLC7A5SLC1A3SLC1A2SLC1A1TP53
SCHEMBL18927234 0.92 SLC7A5 (0.65) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL5065202 0.85
SCHEMBL13502414 0.82 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL1813972 0.81 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL43678 0.81
Valine SCHEMBL8516 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008053172-A1 ASSAY QUEEN'S UNIVERSITY OF BELFAST (GB) 2008-05-08 WO claimed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
CN-116621931-A Actinomycete cyclic lipopeptid compound and extraction method and application thereof 上海交通大学医学院附属仁济医院 2023-08-22 CN disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20230106131-A1 POLYPEPTIDE CONJUGATES FOR INTRACELLULAR DELIVERY OF STAPLED PEPTIDES OHIO STATE INNOVATION FOUNDATION 2023-04-06 US disclosed
CN-114980933-A Compositions and methods for treating viral infections 奇达拉治疗公司 2022-08-30 CN disclosed
CN-114390929-A Compositions and methods for treating respiratory syncytial virus 奇达拉治疗公司 2022-04-22 CN disclosed
CN-113194983-A Compositions and methods for treating viral infections 奇达拉治疗公司 2021-07-30 CN disclosed
US-9783800-B2 Method for producing peptides having azole-derived skeleton THE UNIVERSITY OF TOKYO (JP) 2017-10-10 US disclosed
US-20170159046-A1 Method for Producing Peptides Having Azole-Derived Skeleton THE UNIVERSITY OF TOKYO (JP) 2017-06-08 US disclosed
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2002-11-28 US disclosed
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US disclosed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 US disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
US-5696230-A ACYCLIC OLIGOPEPTIDE HAVING CONSTRAINED BACKBONE CONFORMATION AND SPASMOGENIC, PLATELET AGGREGATORY, NEUTROPHIL POLARIZATION AND/OR NEUTROPHIL ENZYME RELEASE ACTIVITY THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1997-12-09 US disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 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 (5 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-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 SLC7A5 860/4885SLC1A3 2604/4885SLC1A2 3427/4885
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein VIP, PRSS1, SERPINB1 SLC7A5 3026/4885SLC1A3 3680/4885SLC1A2 4572/4885
US-20230106131-A1 POLYPEPTIDE CONJUGATES FOR INTRACELLULAR DELIVERY OF STAPLED PEPTIDES VIP, IAPP, TAP1 SLC7A5 175/4885SLC1A3 597/4885SLC1A2 1345/4885
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP SLC7A5 75/4885SLC1A3 172/4885SLC1A2 236/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 SLC7A5 2566/4885SLC1A3 3020/4885SLC1A2 4117/4885

“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.