SCHEMBL353882

SCHEMBL353882

O=S(=O)(O)CCN1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 3/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
RAD52 P43351 1/20 0.36
MEN1 O00255 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
SCHEMBL2765135 0.98 MAPT (0.43) MAPTALDH1A1POLBL3MBTL1HRH3
SCHEMBL29393445 0.91 POLB (0.38) MAPTALDH1A1POLBL3MBTL1HRH3
SCHEMBL789961 0.87 PTGS1 (0.39) MAPTALDH1A1POLBMAPK1LMNA
SCHEMBL2403909 0.87
SCHEMBL63679 0.87 PTGS1 (0.39) MAPTALDH1A1POLBMAPK1LMNA
SCHEMBL14414885 0.87 PTGS1 (0.39) MAPTALDH1A1POLBMAPK1LMNA
SCHEMBL4188473 0.86 HRH3 (0.52) MAPTALDH1A1POLBL3MBTL1HRH3
SCHEMBL916959 0.86 HRH3 (0.52) MAPTALDH1A1POLBL3MBTL1HRH3
SCHEMBL25336178 0.85 PTGS1 (0.38) MAPTALDH1A1POLBL3MBTL1MAPK1
SCHEMBL8463674 0.85 PTGS1 (0.38) MAPTALDH1A1POLBL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2578577-A1 Sulfonyl esters of tetrahydrocannabinol and derivatives thereof Albany Molecular Research, Inc. (US) 2013-04-10 EP claimed
EP-2476667-A2 Aminoheteroaryl compounds as protein kinase inhibitors Sugen, Inc. (US) 2012-07-18 EP claimed
US-7674922-B2 Process for production of delta-9-tetrahydrocannabinol ALBANY MOLECULAR RESEARCH, INC. (US) 2010-03-09 US claimed
EP-1928853-A2 PROCESS FOR PRODUCTION OF DELTA-9-TETRAHYDROCANNABINOL AMR Technology, Inc. (US) 2008-06-11 EP claimed
US-7230098-B2 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. (US) 2007-06-12 US claimed
US-20070093665-A1 Process for production of delta-9- tetrahydrocannabinol AMR TECHNOLOGY, INC. (US) 2007-04-26 US claimed
WO-2007041167-A2 PROCESS FOR PRODUCTION OF DELTA-9-TETRAHYDROCANNABINOL AMR TECHNOLOGY, INC. (US) 2007-04-12 WO claimed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 US claimed
JP-2006519232-A 2006-08-24 JP claimed
EP-1603570-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2005-12-14 EP claimed
US-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN, INC. 2005-01-13 US claimed
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. 2005-01-13 US claimed
WO-2004076412-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2004-09-10 WO claimed
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed
US-20210246344-A1 Biological buffers with wide buffering ranges DALY THOMAS (US) 2021-08-12 US disclosed
CN-113181362-A Agent for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2021-07-30 CN disclosed
US-6069254-A Carboxamide derivatives of piperidine for the treatment of thrombosis disorders ORTHO PHARMACEUTICAL CORP. (US) 2000-05-30 US disclosed
EP-0923555-A1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1999-06-23 EP disclosed
WO-1997041102-A1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-06 WO disclosed
WO-1993000102-A1 APC POLYPEPTIDES AND ANTI-PEPTIDE ANTIBODIES, DIAGNOSTIC METHODS AND SYSTEMS FOR INHIBITNG APC, AND THERAPEUTIC METHODS THE SCRIPPS RESEARCH INSTITUTE (US) 1993-01-07 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-20070093665-A1 Process for production of delta-9- tetrahydrocannabinol CNR2, CNR1, HRH4 MAPT 2643/4885ALDH1A1 2849/4885POLB 3244/4885
US-20050009832-A1 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors MAP3K8, MAP3K2, MAP3K5 MAPT 1970/4885ALDH1A1 2826/4885POLB 2863/4885
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer MET, ERBB2, CDK4 MAPT 2514/4885ALDH1A1 1269/4885POLB 4378/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 MAPT 2035/4885ALDH1A1 2031/4885POLB 4605/4885
US-20210246344-A1 Biological buffers with wide buffering ranges PEF1, SLC7A1, PLPBP MAPT 2834/4885ALDH1A1 4276/4885POLB 749/4885

“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.