SCHEMBL256557

SCHEMBL256557

CC(=O)CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
CTSD P07339 1/20 0.34
CA14 Q9ULX7 2/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
DGAT1 O75907 1/20 0.31
GAA P10253 1/20 0.31
PDK2 Q15119 1/20 0.31
ASGR1 P07306 1/20 0.31
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL1926409 0.85 HDAC6 (0.36) HDAC6HDAC1HDAC2CTSLCTSB
SCHEMBL1689401 0.83 HDAC6 (0.37) HDAC6HDAC1HDAC2CTSLCTSB
SCHEMBL6445026 0.83 HDAC6 (0.37) HDAC6HDAC1HDAC2CTSLCTSB
SCHEMBL336495 0.83 HDAC6 (0.37) HDAC6HDAC1HDAC2CTSLCTSB
SCHEMBL24106653 0.81 HDAC6 (0.36) HDAC6HDAC1HDAC2CTSLCTSB
SCHEMBL8518995 0.81 HDAC6 (0.36) HDAC6HDAC1HDAC2CTSLCTSB
Ammonia Solution, Strong SCHEMBL29062672 0.81 HDAC6 (0.36) HDAC6HDAC1HDAC2CTSLCTSB
SCHEMBL3187773 0.81 HDAC6 (0.36) HDAC6HDAC1HDAC2CTSLCTSB
SCHEMBL13451748 0.81 HDAC6 (0.40) HDAC6HDAC1HDAC2CTSLCTSB
SCHEMBL19544584 0.80 HDAC6 (0.37) HDAC6HDAC1HDAC2CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-11236094-B2 Substituted pyrrolo[2,1-f][1,2,4]triazines as FGFR inhibitors CSPC ZHONGQI PHARMACEUTICALL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2022-02-01 US disclosed
US-20220024908-A1 PREPARATION METHOD FOR DEUTERATED MACROCYCLIC COMPOUND SHENZHEN TARGETRX, INC. (CN) 2022-01-27 US disclosed
US-10913753-B2 Thienopyridine carboxamides as ubiquitin-specific protease inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-02-09 US disclosed
US-20200207773-A1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-07-02 US disclosed
CN-111233833-A Preparation method of deuterated macrocyclic compound 深圳市塔吉瑞生物医药有限公司 2020-06-05 CN disclosed
EP-2822953-B9 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER (US) 2017-06-21 EP disclosed
EP-2822953-B9 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER (US) 2017-06-21 EP disclosed
US-9663472-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-05-30 US disclosed
US-8680111-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2014-03-25 US disclosed
US-8680111-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2014-03-25 US disclosed
US-8680111-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2014-03-25 US disclosed
US-20130252961-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-09-26 US disclosed
US-20130252961-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-09-26 US disclosed
WO-2013132376-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER INC. (US) 2013-09-12 WO disclosed
WO-2013132376-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER INC. (US) 2013-09-12 WO disclosed
US-20120178666-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-07-12 US disclosed
WO-2012030907-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-03-08 WO disclosed
US-20110065796-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-17 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 (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-10913753-B2 Thienopyridine carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 HDAC6 399/4885HDAC1 243/4885HDAC2 237/4885
US-11236094-B2 Substituted pyrrolo[2,1-f][1,2,4]triazines as FGFR inhibitors FGFR1, FGFR2, FGFR4 HDAC6 433/4885HDAC1 136/4885HDAC2 307/4885
US-20130252961-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, EML4 HDAC6 1212/4885HDAC1 2071/4885HDAC2 3453/4885
US-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS HDAC6 1243/4885HDAC1 1631/4885HDAC2 3318/4885
US-20220024908-A1 PREPARATION METHOD FOR DEUTERATED MACROCYCLIC COMPOUND CTRC, GCG, SBDS HDAC6 1886/4885HDAC1 1581/4885HDAC2 1657/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR HDAC6 494/4885HDAC1 392/4885HDAC2 1048/4885
US-20200207773-A1 FGFR INHIBITOR AND MEDICAL APPLICATION THEREOF FGFR1, FGFR2, FGFR3 HDAC6 514/4885HDAC1 494/4885HDAC2 994/4885
US-20120178666-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA HDAC6 1624/4885HDAC1 2697/4885HDAC2 2383/4885
US-20110065796-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA HDAC6 1624/4885HDAC1 2697/4885HDAC2 2383/4885

“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.