SCHEMBL522289

SCHEMBL522289

CC(C)(C)OCc1cccc(B(O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.55
LPL P06858 2/20 0.50
LIPG Q9Y5X9 2/20 0.50
MGLL Q99685 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NLRP3 Q96P20 1/20 0.37
PSMB5 P28074 1/20 0.36

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
SCHEMBL646850 0.81 IDO1 (0.42)
SCHEMBL8528 0.80 ENPP2 (0.61) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL1444817 0.78 LPL (0.52) ENPP2LPLLIPGMGLL
SCHEMBL19240343 0.78 ENPP2 (0.50) ENPP2KDM4EALDH1A1
SCHEMBL1241080 0.78 ENPP2 (0.49) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL19492760 0.77 ENPP2 (0.56) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL12793048 0.77 ENPP2 (0.56) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL27840926 0.77 IDO1 (0.40) ENPP2
SCHEMBL16576680 0.77 ENPP2 (0.60) ENPP2LPLLIPGMGLLKDM4E
SCHEMBL10294062 0.77 IDO1 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 US disclosed
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2020-11-12 US disclosed
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2019-01-31 US disclosed
US-20180009764-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2018-01-11 US disclosed
US-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-06-15 US disclosed
EP-2855426-B1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-01-04 EP disclosed
US-9458128-B2 Catechol O-methyltransferase activity inhibiting compounds ORION CORPORATION (FI) 2016-10-04 US disclosed
US-20150368207-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES ADVANCED CANCER THERAPEUTICS, LLC (US) 2015-12-24 US disclosed
US-9162987-B2 Iodo pyrimidine derivatives useful for the treatment of macrophage migration inhibitory factor (MIF)-implicated diseases and conditions UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-10-20 US disclosed
WO-2011038234-A2 NOVEL IODO PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2011-03-31 WO disclosed
EP-2298767-A1 NITROGENATED BICYCLIC HETEROCYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-03-23 EP disclosed
US-20110065727-A1 POLYSUBSTITUTED DERIVATIVES OF 2-HETEROARYL-6-PHENYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-17 US disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
US-20100029733-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-04 US disclosed
US-20100029733-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-04 US disclosed
EP-1768978-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-07-09 EP disclosed
US-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-03-06 US disclosed
EP-1768978-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-04-04 EP disclosed
WO-2006005914-A1 2, 4, 6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-01-19 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 (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-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB ENPP2 672/4885LPL 3894/4885LIPG 3328/4885
US-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ENPP2 4432/4885LPL 1092/4885LIPG 1381/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ENPP2 4432/4885LPL 1092/4885LIPG 1381/4885
US-20100029733-A1 BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS PTGER1, EDNRA, NMUR1 ENPP2 484/4885LPL 4741/4885LIPG 4516/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ENPP2 4432/4885LPL 1092/4885LIPG 1381/4885
US-20180009764-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES MIF, MSR1, CCL2 ENPP2 1152/4885LPL 3320/4885LIPG 1919/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT ENPP2 4432/4885LPL 1092/4885LIPG 1381/4885
US-20150368207-A1 METHOD FOR TREATING MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)-IMPLICATED DISEASES AND CONDITIONS WITH IODO PYRIMIDINE DERIVATIVES MIF, MSR1, CCL2 ENPP2 1152/4885LPL 3320/4885LIPG 1919/4885
US-20110065727-A1 POLYSUBSTITUTED DERIVATIVES OF 2-HETEROARYL-6-PHENYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF ABL1, JAK2, REN ENPP2 822/4885LPL 4385/4885LIPG 4683/4885

“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.