Sugi Predict

Sugi Predict / Compounds / SCHEMBL2651145

SCHEMBL2651145

SCHEMBL2651145

O=S(=O)(O)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.73
▸ HSD17B10 Q99714 3/20 0.69
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ GAA P10253 5/20 0.58
▸ HPGD P15428 3/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ LMNA P02545 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ POLB P06746 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ MLNR O43193 3/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CNR2 P34972 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RECQL P46063 1/20 0.50

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
Hydrochloric Acid SCHEMBL28787677 0.98 ALDH1A1 (0.71) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD
SCHEMBL13212276 0.86 HSD17B10 (0.72) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD
SCHEMBL30048936 0.86 ALDH1A1 (0.71) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD
SCHEMBL4370841 0.86 ALDH1A1 (0.71) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD
SCHEMBL724192 0.86 ALDH1A1 (0.71) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD
SCHEMBL8230176 0.85 ALDH1A1 (0.66) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD
Hydrochloric Acid SCHEMBL6197947 0.84 ALDH1A1 (0.69) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD
SCHEMBL10154020 0.82 HSD17B10 (0.67) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD
SCHEMBL30338749 0.82 HSD17B10 (0.67) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD
SCHEMBL14101423 0.82 ALDH1A1 (0.66) ALDH1A1HSD17B10SMN1; SMN2GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836207-B1 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2012-10-10 — — EP claimed
US-20080312225-A1 Triazolophthalazines NYCOMED GMBH (DE) 2008-12-18 — — US claimed
WO-2008026046-A1 MORPHOLINE D3 DOPAMINE ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-03-06 — — WO claimed
EP-1836207-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS Nycomed GmbH (DE) 2007-09-26 — — EP claimed
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2006-08-17 — — US claimed
WO-2006072615-A2 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2006-07-13 — — WO claimed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 — — US claimed
US-RE45670-E1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2015-09-15 — — US disclosed
EP-1836207-B1 TRIAZOLOPHTHALAZINES AS PDE2-INHIBITORS NYCOMED GMBH (DE) 2012-10-10 — — EP disclosed
EP-2471533-A1 Aryl carbonyl derivatives as therapeutic agents Novo Nordisk A/S (DK) 2012-07-04 — — EP disclosed
US-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2011-12-08 — — US disclosed
EP-1551799-B1 CYCLOHEXYL SULPHONES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2010-04-14 — — EP disclosed
US-7625896-B2 Pyridylsulfonamide derivatives HOFFMAN-LA ROCHE INC. (US) 2009-12-01 — — US disclosed
EP-1551799-A1 CYCLOHEXYL SULPHONES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2005-07-13 — — EP disclosed
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 — — EP disclosed
US-6890956-B2 Cyclohexyl sulphones as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2005-05-10 — — US disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 — — US disclosed
US-20040121995-A1 Cyclohexyl sulphones as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-06-24 — — US disclosed
WO-2004031139-A1 CYCLOHEXYL SULPHONES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2004-04-15 — — WO disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 — — 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-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS GCK, GCKR, PDK2 ALDH1A1 192/4885HSD17B10 611/4885SMN1; SMN2 2958/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 ALDH1A1 148/4885HSD17B10 390/4885SMN1; SMN2 3318/4885
US-20040121995-A1 Cyclohexyl sulphones as gamma-secretase inhibitors BACE1, BACE2, APP ALDH1A1 1531/4885HSD17B10 511/4885SMN1; SMN2 2130/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885HSD17B10 611/4885SMN1; SMN2 2958/4885
US-20080312225-A1 Triazolophthalazines PDE2A, PDE3A, PDE12 ALDH1A1 920/4885HSD17B10 564/4885SMN1; SMN2 2158/4885

“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.