SCHEMBL334552

SCHEMBL334552

CC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
MAPT P10636 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
NPC1 O15118 1/20 0.73
RAB9A P51151 1/20 0.73
L3MBTL1 Q9Y468 2/20 0.70
MAPK1 P28482 1/20 0.70
LMNA P02545 2/20 0.69
TSHR P16473 1/20 0.67
KMT2A Q03164 4/20 0.65
MEN1 O00255 1/20 0.65
POLB P06746 1/20 0.65
GAA P10253 1/20 0.61
HPGD P15428 1/20 0.60

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
SCHEMBL1832768 0.85 L3MBTL1 (0.72) ALDH1A1SMN1; SMN2L3MBTL1MAPK1LMNA
SCHEMBL11536910 0.85 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12793245 0.84 POLB (0.88) ALDH1A1SMN1; SMN2L3MBTL1MAPK1LMNA
SCHEMBL2744785 0.84 L3MBTL1 (0.70) ALDH1A1SMN1; SMN2NPC1L3MBTL1MAPK1
SCHEMBL6201042 0.84 L3MBTL1 (0.70) ALDH1A1SMN1; SMN2NPC1L3MBTL1MAPK1
SCHEMBL2981180 0.83 ALDH1A1 (0.97) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL26313603 0.83 ALDH1A1 (0.97) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL14696849 0.83 GLA (0.74) ALDH1A1SMN1; SMN2L3MBTL1MAPK1LMNA
SCHEMBL12793846 0.83 KMT2A (0.72) ALDH1A1NPC1L3MBTL1MAPK1LMNA
SCHEMBL27654424 0.83 MAPK1 (0.65) ALDH1A1MAPTSMN1; SMN2L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10071976-B2 Small molecule fatty acid synthase inhibitors Sanford Burnham Prebys Medical Discovery Institute (US) 2018-09-11 US disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-20170066731-A1 SMALL MOLECULE FATTY ACID SYNTHASE INHIBITORS Sanford Burnham Prebys Medical Discovery Institute 2017-03-09 US disclosed
US-20170066731-A1 SMALL MOLECULE FATTY ACID SYNTHASE INHIBITORS Sanford Burnham Prebys Medical Discovery Institute 2017-03-09 US disclosed
US-20170066731-A1 SMALL MOLECULE FATTY ACID SYNTHASE INHIBITORS Sanford Burnham Prebys Medical Discovery Institute 2017-03-09 US disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 US disclosed
WO-2015134790-A1 SMALL MOLECULE FATTY ACID SYNTHASE INHIBITORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-09-11 WO disclosed
WO-2015134790-A1 SMALL MOLECULE FATTY ACID SYNTHASE INHIBITORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-09-11 WO disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 US disclosed
EP-1608375-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK Signal Pharmaceuticals LLC (US) 2005-12-28 EP disclosed
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 WO disclosed
WO-2004084901-A1 METHODS FOR TREATING OR PREVENTING AN INFLAMMATORY OR METABOLIC CONDITION BY INHIBITING JNK SIGNAL PHARMACEUTICALS, LLC (US) 2004-10-07 WO disclosed
US-20040106634-A1 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-06-03 US disclosed
US-20030220330-A1 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2003-11-27 US disclosed
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2003-10-30 US disclosed
EP-1349841-A2 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-08 EP disclosed
EP-1349840-A2 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2003-10-08 EP disclosed
WO-2002046170-A2 ANILINOPYRIMIDINE DERIVATIVES AS JNK PATHWAY INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2002-06-13 WO disclosed
WO-2002046171-A2 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARMACEUTICALS, INC. (US) 2002-06-13 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-20040106634-A1 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK MAPK6, MAPKAPK2, DUSP6 ALDH1A1 2358/4885MAPT 1178/4885SMN1; SMN2 3049/4885
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 ALDH1A1 1883/4885MAPT 3895/4885SMN1; SMN2 1078/4885
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE ALDH1A1 3935/4885MAPT 2390/4885SMN1; SMN2 3620/4885
US-10071976-B2 Small molecule fatty acid synthase inhibitors FASN, FADS2, FADS1 ALDH1A1 831/4885MAPT 3810/4885SMN1; SMN2 4681/4885
US-20030220330-A1 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto MAPK6, MAP3K6, MAPK1 ALDH1A1 2565/4885MAPT 1474/4885SMN1; SMN2 4094/4885
US-20170066731-A1 SMALL MOLECULE FATTY ACID SYNTHASE INHIBITORS FASN, FADS2, FADS1 ALDH1A1 831/4885MAPT 3810/4885SMN1; SMN2 4681/4885
US-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 ALDH1A1 1001/4885MAPT 3484/4885SMN1; SMN2 1867/4885

“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.