SCHEMBL1182019

SCHEMBL1182019

COc1ncc(B2OC(C)(C)C(C)(C)O2)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.34
QPCT Q16769 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
UCHL1 P09936 1/20 0.32
SNCA P37840 1/20 0.30
CRHR1 P34998 1/20 0.30
DGAT1 O75907 1/20 0.30
CYP1A2 P05177 1/20 0.30
METAP2 P50579 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL21236343 0.84 CYP1A2 (0.37) UCHL1SNCADGAT1CYP1A2EGFR
SCHEMBL29421542 0.84 CYP1A2 (0.37) UCHL1SNCADGAT1CYP1A2EGFR
SCHEMBL24155618 0.83 LIPE (0.38) ALPLDGAT1CYP1A2
SCHEMBL854982 0.83 NUDT1 (0.35) ALPLUCHL1CYP1A2METAP2
SCHEMBL14726790 0.83 UCHL1 (0.34) UCHL1DGAT1
SCHEMBL2066865 0.80 ALPL (0.34) ALPLUCHL1DGAT1EGFR
SCHEMBL15535603 0.80 ALPL (0.34) ALPLUCHL1
SCHEMBL16076005 0.80 ALPL (0.32) ALPLUCHL1
SCHEMBL2066860 0.79 UCHL1 (0.32) ALPLUCHL1DGAT1
SCHEMBL30606415 0.79 NR1H2 (0.38) UCHL1DGAT1CYP1A2METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040133028-A1 Hydroboronation process COMMONWEALTH SCIENTIFIC 2004-07-08 US claimed
US-6680401-B1 BORON COMPOUNDS SUCH AS 4-(METHOXYMETHYL)-1,3,2-DIOXABOROLANE, USED AS COUPLERS OR CHEMICAL INTERMEDIATES FOR DRUGS, PESTICIDES OR IN COMBINATORIAL CHEMISTRY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-01-20 US claimed
US-20230321100-A1 CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE BETTA PHARMACEUTICALS CO., LTD (CN) 2023-10-12 US disclosed
US-20230321100-A1 CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE BETTA PHARMACEUTICALS CO., LTD (CN) 2023-10-12 US disclosed
EP-4212524-A1 CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE Betta Pharmaceuticals Co., Ltd (CN) 2023-07-19 EP disclosed
CN-116134029-A Oxo-nitrogen ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-05-16 CN disclosed
CN-109195965-B Inhibitors of WDR5 protein-protein binding 普罗佩纶治疗公司 2022-07-26 CN disclosed
CN-114790197-A CD73 inhibitor and application thereof in medicine 贝达药业股份有限公司 2022-07-26 CN disclosed
WO-2022121914-A1 OXO-NITROGEN RING DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2022-06-16 WO disclosed
WO-2022121914-A1 OXO-NITROGEN RING DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2022-06-16 WO disclosed
WO-2022052886-A1 CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE 贝达药业股份有限公司 2022-03-17 WO disclosed
US-20070142328-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2007-06-21 US disclosed
US-7122694-B2 Hydroboronation process BORON MOLECULAR PTY LIMITED (AU) 2006-10-17 US disclosed
EP-1127060-B8 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2005-01-05 EP disclosed
US-20040133028-A1 Hydroboronation process COMMONWEALTH SCIENTIFIC 2004-07-08 US disclosed
EP-1127060-B1 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2004-04-07 EP disclosed
US-6680401-B1 BORON COMPOUNDS SUCH AS 4-(METHOXYMETHYL)-1,3,2-DIOXABOROLANE, USED AS COUPLERS OR CHEMICAL INTERMEDIATES FOR DRUGS, PESTICIDES OR IN COMBINATORIAL CHEMISTRY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-01-20 US disclosed
EP-1127060-A4 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2002-08-21 EP disclosed
EP-1127060-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-08-29 EP disclosed
WO-2000027853-A1 HYDROBORONATION PROCESS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-05-18 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 (3 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-20070142328-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB ALPL 737/4885QPCT 417/4885QPCTL 866/4885
US-20040133028-A1 Hydroboronation process ALKBH3, HPD, HVCN1 ALPL 4836/4885QPCT 1024/4885QPCTL 3077/4885
US-20230321100-A1 CD73 INHIBITOR AND APPLICATION THEREOF IN MEDICINE ENTPD5, ENTPD1, NT5E ALPL 665/4885QPCT 1760/4885QPCTL 3871/4885

“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.