SCHEMBL301012

SCHEMBL301012

CCCCCS(=O)(=O)[N]S(=O)(=O)CCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.50
CA2 P00918 6/20 0.45
NPC1 O15118 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
AGTR1 P30556 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL3022830 0.97 FAAH (0.54) FAAHCA2TSHRTHRBCES1
SCHEMBL239450 0.92 ALDH1A1 (0.44) FAAHCA2NPC1S1PR2S1PR4
SCHEMBL3030767 0.85 FAAH (0.48) FAAHCA2TSHRTHRBCES1
SCHEMBL8679500 0.83 FAAH (0.38) FAAHCA2NPC1S1PR2S1PR4
SCHEMBL1679038 0.81 FAAH (0.48) FAAHCA2NPC1S1PR2S1PR4
SCHEMBL9491183 0.81 CA2 (0.48) FAAHCA2CES1
SCHEMBL243971 0.79 FAAH (0.32) FAAHCA2NPC1S1PR2S1PR4
SCHEMBL6152724 0.79 FAAH (0.52) FAAHCA2TSHRTHRBCES1
SCHEMBL3016235 0.79 ALDH1A1 (0.39) FAAHCA2NPC1S1PR2S1PR4
SCHEMBL7309994 0.79 FAAH (0.46) FAAHCA2NPC1S1PR2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884017-B2 2-heteroarylcarboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-11 US claimed
US-20140163067-A1 Methods of Treatment of Limited Cognitive Impairment ENVIVO PHARMACEUTICALS, INC. (US) 2014-06-12 US claimed
US-20140155429-A1 Treatment of Cognitive Disorders with Certain Alpha-7 Nicotinic Acid Receptor Agonists in Combination with Nicotine ENVIVO PHARMACEUTICALS, INC. (US) 2014-06-05 US claimed
EP-2725906-A1 METHODS OF TREATMENT OF LIMITED COGNITIVE IMPAIRMENT Envivo Pharmaceuticals, Inc. (US) 2014-05-07 EP claimed
EP-2706854-A1 TREATMENT OF COGNITIVE DISORDERS WITH CERTAIN ALPHA-7 NICOTINIC ACID RECEPTOR AGONISTS IN COMBINATION WITH NICOTINE Envivo Pharmaceuticals, Inc. (US) 2014-03-19 EP claimed
EP-2640378-A1 TREATMENT OF INFLAMMATION WITH CERTAIN ALPHA-7 NICOTINIC ACID RECEPTOR AGONISTS IN COMBINATION WITH ACETYLCHOLINESTERASE INHIBITORS Envivo Pharmaceuticals, Inc. (US) 2013-09-25 EP claimed
US-20130231365-A1 Treatment of Inflammation with Certain Alpha-7 Nicotinic Acid Receptor Agonists in Combination with Acetylcholinesterase Inhibitors FORUM PHARMACEUTICALS, INC. 2013-09-05 US claimed
WO-2013006365-A1 METHODS OF TREATMENT OF LIMITED COGNITIVE IMPAIRMENT ENVIVO PHARMACEUTICALS, INC. (US) 2013-01-10 WO claimed
WO-2012154710-A1 TREATMENT OF COGNITIVE DISORDERS WITH CERTAIN ALPHA-7 NICOTINIC ACID RECEPTOR AGONISTS IN COMBINATION WITH NICOTINE ENVIVO PHARMACEUTICALS, INC. (US) 2012-11-15 WO claimed
US-20120202842-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER SCHERING PHARMA AG (DE) 2012-08-09 US claimed
WO-2003055878-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-07-10 WO claimed
US-6492403-B1 TREATING SYMPTOMS OF ACUTE OR CHRONIC DISORDER MEDIATED BY CLASSICAL PATHWAY OF COMPLEMENT CASCADE; PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-12-10 US claimed
US-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-03-28 US claimed
EP-1152759-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-14 EP claimed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP claimed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US claimed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US claimed
WO-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO claimed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO claimed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20140163067-A1 Methods of Treatment of Limited Cognitive Impairment CHAT, SLC18A3, BCHE FAAH 478/4885CA2 465/4885NPC1 139/4885
US-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions C1S, C1R, C9 FAAH 1167/4885CA2 820/4885NPC1 630/4885
US-20130231365-A1 Treatment of Inflammation with Certain Alpha-7 Nicotinic Acid Receptor Agonists in Combination with Acetylcholinesterase Inhibitors CHRNA7, CHRNA2, CHRNE FAAH 333/4885CA2 1017/4885NPC1 2116/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 FAAH 1983/4885CA2 2597/4885NPC1 2579/4885
US-20120202842-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES HCAR2, HCAR1, GRIN2A FAAH 92/4885CA2 273/4885NPC1 104/4885
US-20140155429-A1 Treatment of Cognitive Disorders with Certain Alpha-7 Nicotinic Acid Receptor Agonists in Combination with Nicotine CHRNA7, CHRNA10, CHRNA5 FAAH 1679/4885CA2 2360/4885NPC1 1113/4885

“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.