Sugi Predict

Sugi Predict / Compounds / SCHEMBL165222

SCHEMBL165222

SCHEMBL165222

CCOC(=O)C1CCC(=CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ PDK1 Q15118 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LGMN Q99538 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3031033 0.86 ESR2 (0.57) ALDH1A1MEN1KMT2ATSHRESR2
SCHEMBL6974068 0.86 HRH3 (0.39) ALDH1A1MEN1KMT2ATSHRESR2
SCHEMBL13117904 0.82 ESR2 (0.47) ALDH1A1MEN1KMT2ATSHRESR2
SCHEMBL7787484 0.81 ESR2 (0.43) ALDH1A1MEN1KMT2ATSHRESR2
SCHEMBL2329373 0.80 MAPT (0.44) ALDH1A1MEN1KMT2ATSHRESR2
SCHEMBL6562501 0.80 BTK (0.39) KMT2ATSHRESR2GAASMN1; SMN2
SCHEMBL25647202 0.80 ESR2 (0.35) ALDH1A1KMT2AESR2
SCHEMBL6891492 0.80 ESR2 (0.39) ALDH1A1MEN1KMT2ATSHRESR2
SCHEMBL7312356 0.77 ESR2 (0.36) ALDH1A1KMT2AESR2MAPTKDM4E
SCHEMBL13469678 0.77 MAPT (0.46) ALDH1A1MEN1KMT2ATSHRPDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304606-B Degradation agent for simultaneously targeting BTK and GSPT proteins 清华大学 2024-04-19 — — CN disclosed
US-10144732-B2 ATX modulating agents BIOGEN MA INC. (US) 2018-12-04 — — US disclosed
US-9707212-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2017-07-18 — — US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 — — US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 — — US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 — — US disclosed
EP-3152206-A1 ATX MODULATING AGENTS Biogen MA Inc. (US) 2017-04-12 — — EP disclosed
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-02-18 — — US disclosed
EP-2533638-B1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS NIVALIS THERAPEUTICS INC (US) 2016-02-10 — — EP disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 — — WO disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 — — WO disclosed
EP-1144365-B1 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2004-03-17 — — EP disclosed
EP-1244639-A4 2-CYCLOHEXYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2003-02-05 — — EP disclosed
US-6495561-B2 TREATING MIGRAINE, DEPRESSION, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR STROKE MERCK & CO., INC. 2002-12-17 — — US disclosed
EP-1244639-A1 2-CYCLOHEXYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2002-10-02 — — EP disclosed
US-20020055519-A1 2-cyclohexyl imidazopyridine NMDA/NR2B antagonists MERCK SHARP & DOHME CORP. 2002-05-09 — — US disclosed
US-6380205-B1 QUINAZOLINE THROUGH A C1-C4ALKYL, C1- C4ALKENYL, C1-C4ALKYNYL, C1-C4ALKOXY, AMINO, AMINOC1-C4ALKYL, HYDROXYC1-C4ALKYL, CARBONYL, CYCLOC3-C6ALKYL OR AMINOCARBONYL CHAIN, USEFUL FOR TREATMENT OF THE PAIN MERCK & CO., INC. 2002-04-30 — — US disclosed
US-20020032207-A1 2-Cyclohexyl quinazoline NMDA/NR2B antagonists MERCK & CO., INC. 2002-03-14 — — US disclosed
US-6291499-B1 TREATING MIGRAINE, DEPRESSION, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR STROKE MERCK & CO., INC. 2001-09-18 — — US disclosed
WO-2001032634-A1 2-CYCLOHEXYL BENZIMIDAZOLE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2001-05-10 — — 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 (5 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-20020055519-A1 2-cyclohexyl imidazopyridine NMDA/NR2B antagonists GRIN2C, GRIN1, GRIN3A ALDH1A1 2175/4885MEN1 4512/4885KMT2A 845/4885
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR ALDH1A1 344/4885MEN1 4332/4885KMT2A 3313/4885
US-20020032207-A1 2-Cyclohexyl quinazoline NMDA/NR2B antagonists GRIN2C, GRIN1, GRIN3A ALDH1A1 2927/4885MEN1 4315/4885KMT2A 833/4885
US-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 ALDH1A1 4081/4885MEN1 1850/4885KMT2A 1485/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 ALDH1A1 4083/4885MEN1 1850/4885KMT2A 1483/4885

“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.