Sugi Predict

Sugi Predict / Compounds / SCHEMBL1997052

SCHEMBL1997052

SCHEMBL1997052

CCOC(=O)c1ccc(B(O)OC(C)(C)C(C)(C)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA12 O43570 2/20 0.49
▸ CA7 P43166 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ CA14 Q9ULX7 2/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ PDK1 Q15118 1/20 0.45
▸ PDK2 Q15119 1/20 0.45
▸ PDK3 Q15120 1/20 0.45
▸ PDK4 Q16654 1/20 0.45
▸ STS P08842 1/20 0.44
▸ HPGD P15428 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ RAB9A P51151 5/20 0.43

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
SCHEMBL9893898 0.84 CYP4F2 (0.44) CA1CA2CA12CA7CA9
SCHEMBL473743 0.84 CA1 (0.44) CA1CA2CA12CA7CA9
SCHEMBL16277904 0.82 CA12 (0.42) CA1CA2CA12CA9CA14
SCHEMBL8515409 0.82 MAPT (0.45) LMNAHTTRAB9ANPC1SMN1; SMN2
SCHEMBL135488 0.80 TP53 (0.40) CA1CA2CA12CA7CA9
SCHEMBL1859200 0.80 CYP2C19 (0.51) CA1CA2CA12CA7CA9
SCHEMBL1832033 0.79 PARP10 (0.41) CA1CA2CYP3A4POLBMAPT
SCHEMBL23590100 0.79 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL1993193 0.79 CA1 (0.58) CA1CA2CA12CA7CA9
Boric Acid SCHEMBL28043178 0.78 STS (0.52) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853763-B D-pi-A compound and application thereof in passivation of perovskite solar cell 大连理工大学 2023-06-09 — — CN disclosed
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-05 — — US disclosed
CN-114853763-A D-pi-A compound and application thereof in perovskite solar cell passivation 大连理工大学 2022-08-05 — — CN disclosed
EP-2962992-B1 FULLERENE DERIVATIVE, ORGANIC SOLAR CELL USING SAME, AND MANUFACTURING METHOD THEREOF LG CHEMICAL LTD (KR) 2021-07-07 — — EP disclosed
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-06-15 — — US disclosed
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-07-16 — — US disclosed
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2020-02-25 — — US disclosed
EP-3558998-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2019-10-30 — — EP disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 — — US disclosed
WO-2018119284-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-06-28 — — WO disclosed
US-9923143-B2 Fullerene derivative, organic solar cell using same, and manufacturing method thereof LG CHEM, LTD. (KR) 2018-03-20 — — US disclosed
US-20160056383-A1 FULLERENE DERIVATIVE, ORGANIC SOLAR CELL USING SAME, AND MANUFACTURING METHOD THEREOF LG CHEM, LTD. (KR) 2016-02-25 — — US disclosed
EP-2962992-A1 FULLERENE DERIVATIVE, ORGANIC SOLAR CELL USING SAME, AND MANUFACTURING METHOD THEREOF LG Chem, Ltd. (KR) 2016-01-06 — — EP disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 — — US disclosed
US-8773745-B2 Electrochromic material KYUSHU UNIVERSITY (JP) 2014-07-08 — — US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 — — US disclosed
US-20110149367-A1 ELECTROCHROMIC MATERIAL KYUSHU UNIVERSITY (JP) 2011-06-23 — — 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 (7 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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 CA1 1237/4885CA2 356/4885CA12 1613/4885
US-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 CA1 4827/4885CA2 3510/4885CA12 4835/4885
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 CA1 1237/4885CA2 356/4885CA12 1613/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 CA1 1237/4885CA2 356/4885CA12 1613/4885
US-20160056383-A1 FULLERENE DERIVATIVE, ORGANIC SOLAR CELL USING SAME, AND MANUFACTURING METHOD THEREOF FTO, SUN2, CRY2 CA1 2202/4885CA2 2479/4885CA12 736/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 CA1 1237/4885CA2 356/4885CA12 1613/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 CA1 1237/4885CA2 356/4885CA12 1613/4885

“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.