SCHEMBL4059831

SCHEMBL4059831

COc1cnc(S(C)(=O)=O)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
TLR9 Q9NR96 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
PTGS2 P35354 4/20 0.37
PTGS1 P23219 3/20 0.37
PKM P14618 2/20 0.37
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 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
SCHEMBL2449146 0.81 PTGS2 (0.49) SMN1; SMN2KMT2ANPC1RAB9ATP53
SCHEMBL28720579 0.80 LMNA (0.44) LMNAPTGS2PTGS1PKMCA1
SCHEMBL5108030 0.80 LMNA (0.40) SMN1; SMN2LMNAKMT2ANPC1TLR9
SCHEMBL2415480 0.78 ALDH1A1 (0.44) SMN1; SMN2LMNAKMT2ANPC1TLR9
SCHEMBL12896114 0.77 GCK (0.38) SMN1; SMN2LMNAKMT2ANPC1TLR9
SCHEMBL32665217 0.77 LMNA (0.34) SMN1; SMN2LMNAKMT2ANPC1TLR9
SCHEMBL23036852 0.75 KIF11 (0.40) SMN1; SMN2LMNAKMT2ANPC1TLR9
SCHEMBL1550685 0.75 TLR9 (0.48) SMN1; SMN2LMNAKMT2ANPC1TLR9
SCHEMBL3648380 0.75 TLR9 (0.39) SMN1; SMN2LMNAKMT2ANPC1TLR9
SCHEMBL27773731 0.75 MAPT (0.44) SMN1; SMN2LMNAKMT2ANPC1TLR9

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-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 US disclosed
EP-1322624-B1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2009-10-21 EP disclosed
EP-1569914-B1 PYRIMIDINE-SULFAMIDES AND THEIR USE AS ENDOTHELIAN RECEPTOR ANTAGONIST ACTELION PHARMACEUTICALS LTD (CH) 2009-02-18 EP disclosed
EP-1569914-B1 PYRIMIDINE-SULFAMIDES AND THEIR USE AS ENDOTHELIAN RECEPTOR ANTAGONIST ACTELION PHARMACEUTICALS LTD (CH) 2009-02-18 EP disclosed
US-7452896-B2 Pyrimidine-sulfamides and their use as endothelian receptor antagonist ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-18 US disclosed
US-7452896-B2 Pyrimidine-sulfamides and their use as endothelian receptor antagonist ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-18 US disclosed
US-7452896-B2 Pyrimidine-sulfamides and their use as endothelian receptor antagonist ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-18 US disclosed
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 US disclosed
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 US disclosed
US-20030232848-A1 Pyrazole compositions PFIZER INC. 2003-12-18 US disclosed
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2003-09-18 US disclosed
WO-2003055863-A1 NOVEL ALKANSULFONAMIDES AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2003-07-10 WO disclosed
EP-1322624-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2003-07-02 EP disclosed
US-6573270-B1 Endothelin receptor antagonists PFIZER INC. 2003-06-03 US disclosed
WO-2003013545-A1 NOVEL BENZO-FUSED HETEROCYCLES AS ENDOTHELIN ANTAGONISITS ACTELION PHARMACEUTICALS LTD (CH) 2003-02-20 WO disclosed
EP-1274687-A1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2003-01-15 EP disclosed
WO-2002024665-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 WO disclosed
WO-2001068609-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-09-20 WO disclosed
EP-1072597-A1 Pyrazoles and their use as endothelin antagonists Pfizer Limited (GB) 2001-01-31 EP 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 (3 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-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 SMN1; SMN2 4142/4885LMNA 4042/4885KMT2A 2280/4885
US-20030232848-A1 Pyrazole compositions EDNRB, EDNRA, AGTR1 SMN1; SMN2 4627/4885LMNA 2329/4885KMT2A 4504/4885
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives HCRTR2, HCRTR1, NPY2R SMN1; SMN2 3406/4885LMNA 2566/4885KMT2A 1396/4885

“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.