Sugi Predict

Sugi Predict / Compounds / SCHEMBL2170299

SCHEMBL2170299

SCHEMBL2170299

CCOC(=O)Cc1ccc(C(=O)OCC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.61
▸ CA1 P00915 2/20 0.61
▸ CA2 P00918 2/20 0.61
▸ CA7 P43166 2/20 0.61
▸ CA9 Q16790 2/20 0.61
▸ CA14 Q9ULX7 2/20 0.61
▸ ESR1 P03372 1/20 0.61
▸ ESR2 Q92731 1/20 0.61
▸ LMNA P02545 3/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ MAOA P21397 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ TSHR P16473 1/20 0.57
▸ MAPT P10636 3/20 0.55
▸ HPGD P15428 4/20 0.53
▸ HTT P42858 3/20 0.53
▸ CYP4Z1 Q86W10 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ RECQL P46063 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
SCHEMBL28902573 0.89 LOXL2 (0.56) LMNASMN1; SMN2TSHRMAPTHPGD
SCHEMBL68851 0.88 CYP4Z1 (0.62) LMNASMN1; SMN2TSHRMAPTCYP4Z1
SCHEMBL4920477 0.88 MAPT (0.68) CA12CA1CA2CA9LMNA
SCHEMBL10299459 0.86 CYP4Z1 (0.57) LMNASMN1; SMN2TSHRMAPTCYP4Z1
SCHEMBL2235354 0.85 CA1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL481332 0.85 CA1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL6393097 0.85 ALDH1A1 (0.57) LMNASMN1; SMN2MAPTCYP4Z1ALDH1A1
SCHEMBL393094 0.85 LMNA (0.55) LMNASMN1; SMN2TSHRMAPTHPGD
SCHEMBL9895432 0.85 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL31635260 0.85 LMNA (0.56) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-07-30 — — US disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 — — US disclosed
US-9717706-B2 Chromone inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2017-08-01 — — US disclosed
US-9717706-B2 Chromone inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2017-08-01 — — US disclosed
US-9376417-B2 Process for preparing aryl- and heteroarylacetic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 — — US disclosed
US-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC 2015-12-10 — — US disclosed
US-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC 2015-12-10 — — US disclosed
US-20150315171-A1 PROCESS FOR PREPARING ARYL - AND HETEROARYLACETIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-11-05 — — US disclosed
US-9096568-B2 Process for preparing aryl- and heteroarylacetic acid derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 — — US disclosed
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, INC. (US) 2014-06-12 — — US disclosed
EP-1443041-A1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-08-04 — — EP disclosed
EP-1383769-A2 6-SUBSTITUTED PYRAZOLO 3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2004-01-28 — — EP disclosed
WO-2003063764-A2 6-SUBSTITUTED PYRAZOLO [3,4-d] PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-08-07 — — WO disclosed
US-6559152-B2 For therapy of cancer or other proliferative diseases DUPONT PHARMACEUTICALS COMPANY 2003-05-06 — — US disclosed
US-6531477-B1 Treating cancer or other proliferative diseases DUPONT PHARMACEUTICALS COMPANY 2003-03-11 — — US disclosed
WO-2002067654-A3 6-SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-10-31 — — WO disclosed
WO-2002067654-A2 6-SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-09-06 — — WO disclosed
US-20020013328-A1 6-Substituted pyrazolo[3,4-d] pyrimidin-4-ones useful as cyclin dependent kinase inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 — — US disclosed
EP-1121363-A2 6-SUBSTITUTED PYRAZOLO 3,4-d]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-08-08 — — EP disclosed
WO-2000021926-A2 6-SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-04-20 — — 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 (6 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-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 CA12 4712/4885CA1 4255/4885CA2 2570/4885
US-20020013328-A1 6-Substituted pyrazolo[3,4-d] pyrimidin-4-ones useful as cyclin dependent kinase inhibitors CCNK, CCNI, CDK1 CA12 4433/4885CA1 3397/4885CA2 1647/4885
US-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis SOD1, AOC3, CBR3 CA12 2835/4885CA1 4239/4885CA2 3218/4885
US-20150315171-A1 PROCESS FOR PREPARING ARYL - AND HETEROARYLACETIC ACID DERIVATIVES DDC, AHR, DDT CA12 2880/4885CA1 3930/4885CA2 3538/4885
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 CA12 4712/4885CA1 4255/4885CA2 2570/4885
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS SOD1, AOC3, CBR3 CA12 2835/4885CA1 4239/4885CA2 3218/4885

“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.