SCHEMBL1864036

SCHEMBL1864036

CC(C)(C)OC(=O)NC1CCCC(NC(=O)OCc2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
EPHX1 P07099 1/20 0.57
BTK Q06187 1/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.54
TLR4 O00206 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
ACHE P22303 2/20 0.50
KDM1A O60341 1/20 0.50
MAOB P27338 1/20 0.50
MEN1 O00255 1/20 0.50
SYK P43405 1/20 0.49
CPB1 P15086 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
DPP4 P27487 1/20 0.47

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
SCHEMBL12667212 1.00 KMT2A (0.63) KMT2AL3MBTL1EPHX1BTKALDH1A1
SCHEMBL2670623 1.00 KMT2A (0.63) KMT2AL3MBTL1EPHX1BTKALDH1A1
SCHEMBL16523966 1.00 KMT2A (0.63) KMT2AL3MBTL1EPHX1BTKALDH1A1
SCHEMBL6370475 1.00 KMT2A (0.63) KMT2AL3MBTL1EPHX1BTKALDH1A1
SCHEMBL2291956 0.95 ALDH1A1 (0.62) KMT2AL3MBTL1EPHX1BTKALDH1A1
SCHEMBL4929457 0.95 ALDH1A1 (0.62) KMT2AL3MBTL1EPHX1BTKALDH1A1
SCHEMBL4929443 0.95 ALDH1A1 (0.62) KMT2AL3MBTL1EPHX1BTKALDH1A1
SCHEMBL14010470 0.95 ALDH1A1 (0.62) KMT2AL3MBTL1EPHX1BTKALDH1A1
SCHEMBL20494922 0.90 IDO1 (0.53) KMT2AL3MBTL1EPHX1BTKALDH1A1
SCHEMBL6153463 0.90 ALDH1A1 (0.69) KMT2AL3MBTL1EPHX1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114364664-A BCAT modulation 伊卡根有限责任公司 2022-04-15 CN disclosed
EP-3036231-B1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF JUBILANT BIOSYS LTD (IN) 2020-02-26 EP disclosed
US-10273224-B2 Substituted pyrimidine compounds, compositions and medicinal applications thereof JUBILANT BIOSYS LIMITED (IN) 2019-04-30 US disclosed
US-10273224-B2 Substituted pyrimidine compounds, compositions and medicinal applications thereof JUBILANT BIOSYS LIMITED (IN) 2019-04-30 US disclosed
WO-2017097234-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-06-15 WO disclosed
US-20160207905-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION 2016-07-21 US disclosed
US-20160207905-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION 2016-07-21 US disclosed
EP-3036231-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF Jubilant Biosys Ltd. (IN) 2016-06-29 EP disclosed
EP-2451285-B1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2016-01-13 EP disclosed
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
WO-2015025197-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF JUBILANT BIOSYS LIMITED (IN) 2015-02-26 WO disclosed
WO-2015025197-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF JUBILANT BIOSYS LIMITED (IN) 2015-02-26 WO disclosed
EP-2493877-B1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-17 EP disclosed
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-11-21 US disclosed
US-8513271-B2 Pyrimidine compounds as delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
EP-2493877-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 EP disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 US disclosed
WO-2011053705-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 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 (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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 KMT2A 2441/4885L3MBTL1 4449/4885EPHX1 359/4885
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 KMT2A 2881/4885L3MBTL1 825/4885EPHX1 1077/4885
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 KMT2A 2881/4885L3MBTL1 825/4885EPHX1 1077/4885
US-20160207905-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF TYMP, EGFR, TK1 KMT2A 4738/4885L3MBTL1 4743/4885EPHX1 1464/4885
US-10273224-B2 Substituted pyrimidine compounds, compositions and medicinal applications thereof TYMP, EGFR, TK1 KMT2A 4738/4885L3MBTL1 4743/4885EPHX1 1464/4885

“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.