Sugi Predict

Sugi Predict / Compounds / SCHEMBL960302

SCHEMBL960302

SCHEMBL960302

c1ccc2c(c1)CC[C]2c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ HTR7 P34969 3/20 0.42
▸ HTR1A P08908 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NISCH Q9Y2I1 1/20 0.40
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CYP2A6 P11509 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL6880214 0.76 KDM4E (0.34) CES1ALDH1A1HTR7HTR1ALMNA
SCHEMBL16115190 0.73 BCHE (0.39) CES1ALDH1A1HTR7HTR1ALMNA
Fluorene SCHEMBL28714196 0.72 MAOA (0.48) CES1ALDH1A1HTR7HTR1ALMNA
SCHEMBL25302086 0.72 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTNISCHHSD17B10
SCHEMBL29350007 0.72 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTNISCHHSD17B10
SCHEMBL27953 0.72 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTNISCHHSD17B10
SCHEMBL16114881 0.72 DNMT1 (0.44) CES1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL497769 0.72 ALDH1A1 (0.46) ALDH1A1HTR7HTR1ASMN1; SMN2MAPT
SCHEMBL8128706 0.71 CES1 (0.46) CES1ALDH1A1HTR1ALMNASMN1; SMN2
SCHEMBL6705946 0.71 BCHE (0.45) CES1ALDH1A1HTR7HTR1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040690-B1 INHIBITORS OF CXCR2 SANOFI SA (FR) 2014-08-06 — — EP claimed
EP-2106260-A1 INSULIN SENSITISERS AND METHODS OF TREATMENT Verva Pharmaceuticals Ltd (AU) 2009-10-07 — — EP claimed
WO-2008089521-A1 INSULIN SENSITISERS AND METHODS OF TREATMENT VERVA PHARMACEUTICALS LTD (AU) 2008-07-31 — — WO claimed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 — — US claimed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 — — EP claimed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 — — US claimed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 — — WO claimed
US-20020019432-A1 Antioxidant neuroprotective use of, and method of treatment using, hydroxycarbazole compounds SMITHKLINE BEECHAM CORPORATION 2002-02-14 — — US claimed
CN-117069712-A Glycolate oxidase inhibitors for use in the treatment of disease 生物马林药物股份有限公司 2023-11-17 — — CN disclosed
US-10172837-B2 Insulin sensitisers and methods of treatment NAIA Metabolic, Inc. (US) 2019-01-08 — — US disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 — — US disclosed
US-9849119-B2 Opioid receptor ligands and methods of using and making same TREVENA, INC. (US) 2017-12-26 — — US disclosed
EP-2106260-B1 INSULIN SENSITISERS AND METHODS OF TREATMENT VERVA PHARMACEUTICALS LTD (AU) 2017-12-06 — — EP disclosed
US-20170079960-A1 INSULIN SENSITISERS AND METHODS OF TREATMENT NAIA Metabolic, Inc. 2017-03-23 — — US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 — — US disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 — — WO disclosed
EP-1332136-A2 PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS Pfizer Products Inc. (US) 2003-08-06 — — EP disclosed
WO-2002034726-A9 PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PROD INC (US) 2003-03-06 — — WO disclosed
US-20020132822-A1 Pyrimidine-2,4,6-trione metalloproteinase inhibitors PFIZER PRODUCTS INC. 2002-09-19 — — US disclosed
WO-2002034726-A2 PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-05-02 — — 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 (7 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 CES1 91/4885ALDH1A1 337/4885HTR7 3744/4885
US-20170079960-A1 INSULIN SENSITISERS AND METHODS OF TREATMENT GPR119, IRS1, SLC2A1 CES1 645/4885ALDH1A1 3246/4885HTR7 2387/4885
US-20020019432-A1 Antioxidant neuroprotective use of, and method of treatment using, hydroxycarbazole compounds GPX4, TXN2, NLN CES1 840/4885ALDH1A1 604/4885HTR7 2018/4885
US-20020132822-A1 Pyrimidine-2,4,6-trione metalloproteinase inhibitors TYMP, DPYD, TYMS CES1 170/4885ALDH1A1 305/4885HTR7 2911/4885
US-10172837-B2 Insulin sensitisers and methods of treatment GPR119, IRS1, SLC2A1 CES1 627/4885ALDH1A1 3086/4885HTR7 2589/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK CES1 1946/4885ALDH1A1 1036/4885HTR7 3427/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 CES1 3190/4885ALDH1A1 1274/4885HTR7 3604/4885

“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.