SCHEMBL3626814

SCHEMBL3626814

CCCCCCSN1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.41
FAAH O00519 4/20 0.41
ALOX5 P09917 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
CYP2C9 P11712 2/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.34
CES2 O00748 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 3/20 0.34
NAAA Q02083 1/20 0.34

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
SCHEMBL10931031 1.00 MGLL (0.41) MGLLFAAHALOX5KMT2ASMN1; SMN2
SCHEMBL10794655 1.00 MGLL (0.41) MGLLFAAHALOX5KMT2ASMN1; SMN2
SCHEMBL5847509 0.98 FAAH (0.39) MGLLFAAHALOX5KMT2ASMN1; SMN2
SCHEMBL20503180 0.92 FAAH (0.36) MGLLFAAHALOX5KMT2ASMN1; SMN2
SCHEMBL20503205 0.83 FAAH (0.34) MGLLFAAHPTGS1PTGS2CYP2C9
SCHEMBL12485891 0.83 BRD4 (0.31) MGLLFAAH
SCHEMBL11265727 0.78 FAAH (0.37) MGLLFAAHALOX5KMT2ACYP2C9
SCHEMBL10929035 0.76 MGLL (0.52) MGLLFAAHSMN1; SMN2PTGS1PTGS2
SCHEMBL1163645 0.76 MGLL (0.52) MGLLFAAHSMN1; SMN2PTGS1PTGS2
SCHEMBL20503201 0.74 ALDH1A1 (0.33) MAPTTHRBALDH1A1GAA

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522916-B2 A1 adenosine receptor antagonists WILSON CONSTANCE NEELY (US) 2016-12-20 US disclosed
US-9345776-B2 Biodegradable polymers with sulfenamide bonds for drug delivery applications THE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-05-24 US disclosed
US-20140099506-A1 Biodegradable Polymers with Sulfenamide Bonds for Drug Delivery Applications UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2014-04-10 US disclosed
US-20140031375-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS WILSON CONSTANCE NEELY (US) 2014-01-30 US disclosed
US-20100222257-A1 SUBSTITUTED PHENETHYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2010-09-02 US disclosed
EP-2222676-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea, Inc. (US) 2010-09-01 EP disclosed
WO-2009086077-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2009-07-09 WO disclosed
US-20090068101-A9 A1 Adenosine Receptor Antagonists ENDACEA, INC. (US) 2009-03-12 US disclosed
EP-1636229-A4 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA INC (US) 2008-07-30 EP disclosed
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2007-12-06 US disclosed
US-20070274910-A1 e.g. 3-[2-(2-Aminophenyl)ethyl]-8-benzyl-7-(2-methylamino)ethyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility ENDACEA, INC. (US) 2007-11-29 US disclosed
US-7247639-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-07-24 US disclosed
EP-1636230-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS Endacea, Inc. (US) 2006-03-22 EP disclosed
EP-1636229-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS Endacea, Inc. (US) 2006-03-22 EP disclosed
US-20050187226-A1 A1 adenosine receptor antagonists ENDACEA, INC. 2005-08-25 US disclosed
WO-2005009343-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA, INC. (US) 2005-02-03 WO disclosed
WO-2004110379-A2 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2004-12-23 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-20140099506-A1 Biodegradable Polymers with Sulfenamide Bonds for Drug Delivery Applications STS, HPSE, MPST MGLL 1565/4885FAAH 1060/4885ALOX5 2832/4885
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A MGLL 3223/4885FAAH 786/4885ALOX5 1767/4885
US-20070274910-A1 e.g. 3-[2-(2-Aminophenyl)ethyl]-8-benzyl-7-(2-methylamino)ethyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility HRH3, HRH1, HRH2 MGLL 4141/4885FAAH 42/4885ALOX5 148/4885
US-20140031375-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 MGLL 3474/4885FAAH 940/4885ALOX5 1455/4885
US-20100222257-A1 SUBSTITUTED PHENETHYLAMINES ADRB1, ADRA2C, ADRB2 MGLL 2239/4885FAAH 1433/4885ALOX5 2574/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 MGLL 3473/4885FAAH 664/4885ALOX5 1580/4885
US-20090068101-A9 A1 Adenosine Receptor Antagonists ADORA1, ADORA3, ADORA2A MGLL 4276/4885FAAH 51/4885ALOX5 742/4885

“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.