Sugi Predict

Sugi Predict / Compounds / SCHEMBL3349544

SCHEMBL3349544

SCHEMBL3349544

CCOC(=O)CC1COc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ PPARG P37231 8/20 0.47
▸ PPARD Q03181 8/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ FFAR1 O14842 7/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ PSMB5 P28074 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ TSHR P16473 1/20 0.41

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
SCHEMBL3596582 0.86 POLB (0.45) L3MBTL1POLBCYP1A2ALDH1A1KDM4E
SCHEMBL29960371 0.86 POLB (0.45) L3MBTL1POLBCYP1A2ALDH1A1KDM4E
SCHEMBL21979154 0.85 PPARG (0.49) PPARGPPARDPOLBFFAR1ALDH1A1
SCHEMBL25082599 0.82 MAOB (0.53) L3MBTL1CYP1A2ALDH1A1KDM4E
SCHEMBL9979486 0.82 FFAR1 (0.47) PPARGPPARDFFAR1PPARA
SCHEMBL9425479 0.82 LTB4R (0.53) L3MBTL1POLBCYP1A2ALDH1A1KDM4E
SCHEMBL31674096 0.81 L3MBTL1 (0.48) L3MBTL1PPARGPPARDFFAR1PPARA
SCHEMBL18512254 0.81 FFAR1 (0.45) PPARGPPARDFFAR1MEN1KMT2A
SCHEMBL5792814 0.81 PPARG (0.41) L3MBTL1PPARGPPARDFFAR1ALDH1A1
SCHEMBL203850 0.80 PPARG (0.62) PPARGPPARDFFAR1PPARAPSMB5

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-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 — — CN disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 — — US disclosed
EP-3512843-B1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-20 — — EP disclosed
US-11136292-B2 Plant growth regulator compounds SYNGENTA PARTICIPATIONS AG (CH) 2021-10-05 — — US disclosed
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-31 — — US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 — — US disclosed
WO-2018050477-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 — — WO disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 — — US disclosed
US-9783522-B2 2-amino-pyridine and 2-amino-pyrimidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-10-10 — — US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
US-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
WO-2010066829-A1 PROCESS FOR OBTAINING ENANTIOMERICALLY ENRICHED PYRAZOLE DERIVATIVES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-06-17 — — WO disclosed
EP-2196458-A1 Process for obtaining enantiomerically enriched pyrazole derivatives Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-06-16 — — EP disclosed
US-20100004308-A1 Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, A BODY CORPORATE AND POLITIC OF THE STATE OF ILLINOIS 2010-01-07 — — US disclosed
WO-2006017257-A2 AZETIDINONE DERIVATIVES PHENOMIX CORPORATION (US) 2006-02-16 — — WO disclosed
US-5763444-A CENTRAL NERVOUS SYSTEM AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-09 — — US disclosed
EP-0761666-A2 Antidepressant 1-arylalkyl-4-(alkoxypyridinyl)- or 4-(alkoxypyrimidinyl)piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-12 — — EP 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-20170044133-A1 NOVEL 2-AMINO-PYRIDINE AND 2-AMINO-PYRIMIDINE DERIVATIVES AND MEDICINAL USE THEREOF ENPP2, ATXN2, ATXN2L L3MBTL1 2924/4885PPARG 4069/4885PPARD 4139/4885
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C L3MBTL1 3566/4885PPARG 4228/4885PPARD 4644/4885
US-20100004308-A1 Benzofuran-3-yl(indol-3-yl) Maleimides as Potent GSK3 Inhibitors GSK3B, GSK3A, GSKIP L3MBTL1 1185/4885PPARG 1461/4885PPARD 2877/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C L3MBTL1 3566/4885PPARG 4228/4885PPARD 4644/4885
US-11136292-B2 Plant growth regulator compounds FGF1, MST1, CDC20 L3MBTL1 3472/4885PPARG 1967/4885PPARD 3554/4885
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS FGF1, MST1, CDC20 L3MBTL1 3472/4885PPARG 1967/4885PPARD 3554/4885

“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.