SCHEMBL9611268

SCHEMBL9611268

CC(C)(C)C(=O)NC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.63
PDK2 Q15119 1/20 0.63
PDK3 Q15120 1/20 0.63
PDK4 Q16654 1/20 0.63
ALDH1A1 P00352 2/20 0.59
EPHX1 P07099 9/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
EPHX2 P34913 2/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP3A4 P08684 1/20 0.56
SIGMAR1 Q99720 1/20 0.54
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL23481547 1.00 PDK1 (0.63) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL9611267 0.98 ALDH1A1 (0.61) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL12206764 0.93 ALDH1A1 (0.61) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL4087474 0.88 ALDH1A1 (0.60) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL21100016 0.88 ALDH1A1 (0.60) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL18654098 0.86 PDK1 (0.63) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL22110497 0.83 PDK1 (0.59) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL942808 0.83 PDK1 (0.59) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL10172721 0.83 PDK1 (0.70) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL14243258 0.83 PDK1 (0.59) PDK1PDK2PDK3PDK4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US disclosed
US-10752626-B2 Iso-citrate dehydrogenase (IDH) inhibitor SHANGHAI METON PHARMACEUTICAL CO., LTD (CN) 2020-08-25 US disclosed
US-10550073-B2 Benzamide derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-02-04 US disclosed
US-20190256511-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR ZHEJIANG METON PHARMACEUTICAL CO., LTD (CN) 2019-08-22 US disclosed
US-10266521-B2 Substituted heteroaryl compounds and methods of use CALITOR SCIENCES, LLC (US) 2019-04-23 US disclosed
US-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-08-09 US disclosed
US-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. 2018-08-02 US disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-20180162841-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-06-14 US disclosed
CN-102001961-A Method for synthesizing amide lanthanum complexes and application thereof in preparation of high-K material precursor UNIV NANJING AERONAUTICS 2011-04-06 CN disclosed
WO-2010128062-A1 O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF BASF SE (DE) 2010-11-11 WO disclosed
US-20100160574-A1 Polymerisation Using Chain Transfer Agents THE UNIVERSITY OF LEEDS (GB) 2010-06-24 US disclosed
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 US disclosed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
US-20090215965-A1 POLYMERISATION USING CHAIN TRANSFER AGENTS THE UNIVERSITY OF LEEDS (GB) 2009-08-27 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-7220532-B2 Chemical amplification type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-22 US disclosed
US-7220532-B2 Chemical amplification type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-22 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 (13 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-20180222876-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP PDK1 4484/4885PDK2 4671/4885PDK3 4694/4885
US-20180215734-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS DCK, TK1, DTYMK PDK1 112/4885PDK2 145/4885PDK3 251/4885
US-20100160574-A1 Polymerisation Using Chain Transfer Agents TRRAP, TRMT1, IPO11 PDK1 3325/4885PDK2 4071/4885PDK3 4326/4885
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 PDK1 436/4885PDK2 1240/4885PDK3 1185/4885
US-20190256511-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR IDH3A, IDH2, IDH1 PDK1 7/4885PDK2 20/4885PDK3 19/4885
US-20180162841-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB PDK1 434/4885PDK2 608/4885PDK3 492/4885
US-20090215965-A1 POLYMERISATION USING CHAIN TRANSFER AGENTS TRRAP, TRMT1, IPO11 PDK1 3325/4885PDK2 4071/4885PDK3 4326/4885
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 PDK1 77/4885PDK2 138/4885PDK3 155/4885
US-10550073-B2 Benzamide derivative CYP3A5, ABCB1, CYP2D6 PDK1 1496/4885PDK2 1568/4885PDK3 1749/4885
US-10752626-B2 Iso-citrate dehydrogenase (IDH) inhibitor IDH3A, IDH2, IDH1 PDK1 7/4885PDK2 20/4885PDK3 19/4885
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors KDM5A, KDM5C, KDM1B PDK1 162/4885PDK2 375/4885PDK3 436/4885
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands CNR1, CNR2, OPRL1 PDK1 2630/4885PDK2 3253/4885PDK3 2342/4885
US-10266521-B2 Substituted heteroaryl compounds and methods of use PRKACA, PRKDC, PRKACB PDK1 434/4885PDK2 608/4885PDK3 492/4885

“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.