SCHEMBL2034907

SCHEMBL2034907

Cc1ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
PAX8 Q06710 1/20 0.35
MT-CO2 P00403 1/20 0.34
USP30 Q70CQ3 1/20 0.34
KMT2A Q03164 4/20 0.33
ATM Q13315 1/20 0.33
DGAT1 O75907 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
PDPK1 O15530 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SSTR4 P31391 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL531022 0.83 GAA (0.41) PAX8MT-CO2KMT2ADGAT1MAPT
SCHEMBL17166912 0.83 SSTR4 (0.36) HDAC1HDAC6PAX8MT-CO2USP30
SCHEMBL5241743 0.82 F2 (0.38) NPSR1SLC22A12TSHR
SCHEMBL3634800 0.82 MLYCD (0.40) HDAC1HDAC6KMT2AMAPTTSHR
SCHEMBL19470169 0.80 TRPA1 (0.34) HDAC1HDAC6PAX8MT-CO2USP30
SCHEMBL23168280 0.79 MAPK1 (0.54) NPSR1KMT2AMAPTMEN1CYP1A2
SCHEMBL2033422 0.79 HDAC1 (0.37) HDAC1HDAC6PAX8MT-CO2USP30
SCHEMBL4039542 0.79 P4HTM (0.36) HDAC1HDAC6PAX8MT-CO2USP30
SCHEMBL15932872 0.79 CYP1A2 (0.44) MAPTSMN1; SMN2CYP1A2
SCHEMBL9571667 0.77 RAB9A (0.45) KMT2ACYP1A2CYP3A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 CN disclosed
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 US disclosed
CN-107406429-B Pyridazinone derivatives and their use in the treatment of cancer 基因泰克公司 2021-07-06 CN disclosed
US-10239861-B2 Therapeutic compounds and uses thereof GENETECH, INC. (US) 2019-03-26 US disclosed
US-10239861-B2 Therapeutic compounds and uses thereof GENETECH, INC. (US) 2019-03-26 US disclosed
EP-3242874-B1 PYRIDAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER GENENTECH INC (US) 2018-10-31 EP disclosed
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-02-08 US disclosed
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-02-08 US disclosed
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-02-08 US disclosed
EP-3242874-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2017-11-15 EP disclosed
WO-2016112298-A1 PYRIDAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2016-07-14 WO disclosed
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 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 (4 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-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS HDAC1 1897/4885HDAC6 951/4885NPSR1 3112/4885
US-10239861-B2 Therapeutic compounds and uses thereof HDAC10, HDAC6, HDAC11 HDAC1 5/4885HDAC6 2/4885NPSR1 1852/4885
US-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC11 HDAC1 5/4885HDAC6 2/4885NPSR1 1852/4885
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE PPARG, PPARA, PPARD HDAC1 486/4885HDAC6 636/4885NPSR1 1463/4885

“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.