SCHEMBL5001507

SCHEMBL5001507

Cc1ccc(S(=O)(=O)N2C[C@@H]2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
ACHE P22303 1/20 0.61
PKM P14618 2/20 0.56
POLB P06746 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MCOLN3 Q8TDD5 1/20 0.55
MMP2 P08253 1/20 0.52
LMNA P02545 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TSHR P16473 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
SCHEMBL6346703 1.00 L3MBTL1 (0.67) L3MBTL1ACHEPKMPOLBALDH1A1
SCHEMBL4047383 1.00 L3MBTL1 (0.67) L3MBTL1ACHEPKMPOLBALDH1A1
SCHEMBL2944593 0.84 ACHE (0.49) L3MBTL1ACHEPKMPOLBALDH1A1
SCHEMBL25650179 0.83 PKM (0.61) L3MBTL1ACHEPKMPOLBALDH1A1
SCHEMBL28068181 0.82 L3MBTL1 (0.65) L3MBTL1ACHEPKMALDH1A1HTT
SCHEMBL28453217 0.82 L3MBTL1 (0.65) L3MBTL1ACHEPKMMMP2
SCHEMBL11149733 0.82 L3MBTL1 (0.96) L3MBTL1ACHEPOLBALDH1A1NPSR1
SCHEMBL14251563 0.81 TSHR (0.55) L3MBTL1ACHEPKMPOLBALDH1A1
SCHEMBL14251511 0.81 TSHR (0.52) L3MBTL1ACHEPKMPOLBALDH1A1
SCHEMBL15846401 0.81 L3MBTL1 (0.47) L3MBTL1ACHEPKMPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697354-B1 ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2013-08-07 EP disclosed
US-7964646-B2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-06-21 US disclosed
US-7786149-B2 Thiadiazoles as CXC- and CC- chemokine receptor ligands SCHERING CORP. (US) 2010-08-31 US disclosed
US-7691856-B2 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-04-06 US disclosed
US-7671212-B2 Isothiazole dioxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-03-02 US disclosed
US-20090306079-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION 2009-12-10 US disclosed
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction AMGEN INC. 2008-10-09 US disclosed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 US disclosed
US-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2008-04-17 US disclosed
US-7338968-B2 Thiadiazoles AS CXC- and CC- chemokine receptor ligands SCHERING CORPORATION (US) 2008-03-04 US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 US disclosed
EP-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 EP disclosed
EP-1802612-A1 NOVEL B1 BRADYKININ RECEPTOR ANTAGONISTS Amgen, Inc (US) 2007-07-04 EP disclosed
EP-1381590-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2007-06-20 EP disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
US-20060100216-A1 Novel B1 bradykinin receptor antagonists AMGEN INC. (US) 2006-05-11 US disclosed
WO-2006044412-A1 NOVEL B1 BRADYKININ RECEPTOR ANTAGONISTS AMGEN INC. (US) 2006-04-27 WO disclosed
US-6384026-B1 Macrocyclic polyamine lactones and derivatives thereof and their use as arthropod repellents CORNELL RESEARCH FOUNDATION, INC. 2002-05-07 US 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 (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-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS CCR2, ACKR3, CX3CR1 L3MBTL1 3664/4885ACHE 2266/4885PKM 4500/4885
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 L3MBTL1 3459/4885ACHE 4743/4885PKM 4657/4885
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands CXCR1, CCR2, CX3CR1 L3MBTL1 3739/4885ACHE 2510/4885PKM 4601/4885
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction BDKRB1, BDKRB2, FPR1 L3MBTL1 2468/4885ACHE 1016/4885PKM 906/4885
US-20060100216-A1 Novel B1 bradykinin receptor antagonists BDKRB1, BDKRB2, EDNRB L3MBTL1 1617/4885ACHE 2638/4885PKM 1835/4885
US-20090306079-A1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS CCR1, ACKR3, CXCR1 L3MBTL1 3459/4885ACHE 4743/4885PKM 4657/4885

“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.