Sugi Predict

Sugi Predict / Compounds / SCHEMBL2647559

SCHEMBL2647559

SCHEMBL2647559

CON(C)C(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.66
▸ NR1H4 Q96RI1 2/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ ESRRG P62508 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ SRD5A2 P31213 1/20 0.47
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 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
SCHEMBL1852354 0.84 MLYCD (0.73) MLYCDSRD5A2MEN1KMT2ANPC1
SCHEMBL1204815 0.81 MLYCD (0.49) MLYCDMAPTHSD17B10LMNAALOX15
SCHEMBL2774266 0.81 MLYCD (0.49) MLYCDMAPTHDAC1HSD17B10LMNA
SCHEMBL4403418 0.80 NR1H4 (0.68) NR1H4EPHX2MAPTHDAC1ESRRG
SCHEMBL21652181 0.80 ACHE (0.53) MLYCDNR1H4ALDH1A1MEN1KMT2A
SCHEMBL29182292 0.79 MLYCD (0.54) MLYCDMAPTALDH1A1CA1CA2
SCHEMBL1012521 0.79 MLYCD (0.57) MLYCDMAPTALDH1A1LMNAMAPK1
SCHEMBL870352 0.79 MLYCD (0.57) MLYCDMAPTHDAC1ALDH1A1LMNA
SCHEMBL22531823 0.79 MLYCD (0.57) MLYCDALDH1A1ALOX15SRD5A2CA1
SCHEMBL1303906 0.79 MLYCD (0.57) MLYCDMAPTESRRGALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122010881-A Synthesis method of 3-phenoxy-2-arylbenzofuran compound 南京工业大学 2026-05-12 — — CN disclosed
CN-114751882-B Synthesis method of benzofuran 南京工业大学 2024-02-23 — — CN disclosed
CN-114751882-A Synthetic method of benzofuran 南京工业大学 2022-07-15 — — CN disclosed
US-10544092-B2 Malononitrile oxime ether compound and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-01-28 — — US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 — — US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 — — US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 — — US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 — — US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 — — US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 — — US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 — — US disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 — — EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 — — US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 — — US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 — — US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 — — US disclosed
EP-0959886-A4 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS MERCK & CO INC (US) 2001-05-02 — — EP disclosed
EP-0959886-A1 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS Merck & Co., Inc. (US) 1999-12-01 — — EP disclosed
US-5880139-A TREATING DIABETES, OBESITY, HYPERTENSION, CACHEXIA MERCK & CO., INC. (US) 1999-03-09 — — US disclosed
WO-1998022109-A1 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS MERCK & CO., INC. (US) 1998-05-28 — — 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-10544092-B2 Malononitrile oxime ether compound and use thereof ME1, MAL2, ME3 MLYCD 28/4885NR1H4 2555/4885EPHX2 1039/4885
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG MLYCD 2394/4885NR1H4 73/4885EPHX2 3632/4885
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC MLYCD 3279/4885NR1H4 329/4885EPHX2 2830/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 MLYCD 1462/4885NR1H4 109/4885EPHX2 2299/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK MLYCD 2887/4885NR1H4 817/4885EPHX2 2689/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MLYCD 1462/4885NR1H4 109/4885EPHX2 2299/4885

“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.