SCHEMBL571145

SCHEMBL571145

CC(C)(C)OC(=O)NC1(OC=O)CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
APLNR P35414 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GAA P10253 2/20 0.33
BTK Q06187 1/20 0.33
CTSL P07711 1/20 0.32
MAPK10 P53779 1/20 0.32
MIF P14174 1/20 0.32
PPIA P62937 2/20 0.32
P2RX7 Q99572 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31

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
SCHEMBL2500185 0.97 CTSK (0.35) CTSKMEN1MAPK1KMT2AAPLNR
SCHEMBL20338584 0.95 P2RX7 (0.35) CTSKMEN1MAPK1KMT2AAPLNR
SCHEMBL2496562 0.95 P2RX7 (0.35) CTSKMEN1MAPK1KMT2AAPLNR
SCHEMBL20338609 0.95 P2RX7 (0.35) CTSKMEN1MAPK1KMT2AAPLNR
SCHEMBL570580 0.93 CTSK (0.36) CTSKMEN1MAPK1KMT2AAPLNR
SCHEMBL28607231 0.84 CTSK (0.35) CTSKMEN1MAPK1KMT2AAPLNR
SCHEMBL29280568 0.82 GAA (0.37) CTSKMEN1MAPK1KMT2AAPLNR
SCHEMBL25645220 0.81 APLNR (0.36) CTSKMEN1MAPK1KMT2AAPLNR
SCHEMBL2333417 0.78 BTK (0.36) MEN1MAPK1KMT2AAPLNRNFKB1
SCHEMBL27575292 0.78 BTK (0.36) CTSKMEN1MAPK1KMT2AAPLNR

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
CN-110386927-A Histone acetyltransferase (HAT) inhibitor and application thereof 中国科学院上海药物研究所 2019-10-29 CN disclosed
US-20180215780-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS DFH THERAPEUTICS, INC. 2018-08-02 US disclosed
US-20180186860-A1 SYNTHETIC APOLIPOPROTEINS, AND RELATED COMPOSITIONS METHODS AND SYSTEMS FOR NANOLIPOPROTEIN PARTICLES FORMATION U.S. DEPARTMENT OF ENERGY 2018-07-05 US disclosed
US-20170008921-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-01-12 US disclosed
CN-104302290-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-01-21 CN disclosed
EP-2486044-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2012-08-15 EP disclosed
WO-2011044501-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-04-19 WO disclosed
WO-2011044498-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 WO disclosed
WO-2011044503-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 WO disclosed
WO-2011044538-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-01-05 WO disclosed
WO-2010132839-A2 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132760-A1 ANTIBACTERIAL DERIVATIVES OF TOBRAMYCIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132759-A1 ANTIBACTERIAL DERIVATIVES OF DIBEKACIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132768-A1 ANTIBACTERIAL DERIVATIVES OF SISOMICIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132777-A2 TREATMENT OF URINARY TRACT INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132770-A1 TREATMENT OF KLEBSIELLA PNEUMONIAE INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132765-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132757-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010042851-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed
WO-2010042850-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 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 (2 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-20170008921-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS ERG28, CCR3, ACBD3 CTSK 1531/4885MEN1 4454/4885MAPK1 2528/4885
US-20180215780-A1 C-3 NOVEL TRITERPENONE WITH C-28 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS ERG28, CCR3, ACBD3 CTSK 1385/4885MEN1 4314/4885MAPK1 1939/4885

“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.