Sugi Predict

Sugi Predict / Compounds / SCHEMBL2219865

SCHEMBL2219865

SCHEMBL2219865

C=C(CO)COCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.54
▸ CA1 P00915 4/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GRM5 P41594 4/20 0.44
▸ IDO1 P14902 1/20 0.40
▸ AGXT P21549 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NAAA Q02083 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL29346470 0.90 TSHR (0.61) TSHRCA1CA2CA7CA9
SCHEMBL6119293 0.85 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL29344326 0.82 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL6119762 0.82 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL10461732 0.82 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL6119397 0.82 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL8204267 0.81 AGXT (0.44) CA1CA2CA9KDM4EPOLB
SCHEMBL6119495 0.81 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL6119415 0.79 TSHR (0.48) TSHRCA1CA2CA7CA9
SCHEMBL2593113 0.78 TSHR (0.56) TSHRCA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024086644-A1 CEREBLON LIGANDS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. D/B/A/ SK LIFE SCIENCE LABS (US) 2024-04-25 — — WO disclosed
US-10618898-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2020-04-14 — — US disclosed
CN-107614501-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-01-14 — — CN disclosed
US-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 — — US disclosed
US-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 — — US disclosed
US-20170369519-A1 METHODS FOR THE STEREOSELECTIVE PREPARATION OF APIOSE DERIVATIVES FROM ALLYLIC ALCOHOL COMPOUNDS AND ALLENE COMPOUNDS USING CATALYTIC ASYMMETRIC SYNTHESIS POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-12-28 — — US disclosed
US-20170369519-A1 METHODS FOR THE STEREOSELECTIVE PREPARATION OF APIOSE DERIVATIVES FROM ALLYLIC ALCOHOL COMPOUNDS AND ALLENE COMPOUNDS USING CATALYTIC ASYMMETRIC SYNTHESIS POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-12-28 — — US disclosed
WO-2016184313-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF 南京明德新药研发股份有限公司 2016-11-24 — — WO disclosed
US-8530452-B2 Tricyclic boron compounds for antimicrobial therapy MICURX PHARMACEUTICALS, INC. (KY) 2013-09-10 — — US disclosed
US-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY MICURX PHARMACEUTICALS, INC. (KY) 2013-06-27 — — US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 — — WO disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 — — WO disclosed
US-7550487-B2 Pyrrolidine-3,4-dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-23 — — US disclosed
EP-1732918-B1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-12 — — EP disclosed
EP-1732918-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-20 — — EP disclosed
WO-2005092881-A1 NOVEL PYRROLIDINE-3,4-DICARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-06 — — WO disclosed
US-20050215599-A1 Pyrrolidine-3,4-dicarboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 — — US disclosed
US-5488140-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1996-01-30 — — US disclosed
US-5294734-A 1-phosphato-4-amino-pent-2-enoic acids and derivatives CIBA-GEIGY CORP. (US) 1994-03-15 — — 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 (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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 TSHR 1264/4885CA1 4778/4885CA2 3777/4885
US-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY TBCA, TBCB, BTD TSHR 2173/4885CA1 4447/4885CA2 2414/4885
US-20050215599-A1 Pyrrolidine-3,4-dicarboxamide derivatives F9, F2, F12 TSHR 1530/4885CA1 949/4885CA2 289/4885
US-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A TSHR 3261/4885CA1 3306/4885CA2 1918/4885
US-10618898-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A TSHR 3261/4885CA1 3306/4885CA2 1918/4885
US-20170369519-A1 METHODS FOR THE STEREOSELECTIVE PREPARATION OF APIOSE DERIVATIVES FROM ALLYLIC ALCOHOL COMPOUNDS AND ALLENE COMPOUNDS USING CATALYTIC ASYMMETRIC SYNTHESIS GALE, SI, DERA TSHR 3708/4885CA1 1035/4885CA2 1165/4885

“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.