SCHEMBL2058838

SCHEMBL2058838

CCCCn1cc(S(=O)(=O)Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.35
PTPN11 Q06124 1/20 0.34
TOP2A P11388 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
NAMPT P43490 8/20 0.34
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL24152939 0.90 L3MBTL1 (0.49) KMT2AL3MBTL1ALDH1A1PTPN11NAMPT
SCHEMBL22531328 0.83 PDK2 (0.37) KMT2AL3MBTL1ALDH1A1PTPN11
SCHEMBL2412147 0.82 KMT2A (0.58) KMT2AALDH1A1NAMPTCYP3A4CYP2C9
SCHEMBL22531333 0.79 KAT6A (0.39) KMT2AL3MBTL1ALDH1A1PTPN11NAMPT
SCHEMBL24977410 0.79 PTPN11 (0.38) KMT2AL3MBTL1ALDH1A1PTPN11CYP3A4
SCHEMBL20599590 0.76 KMT2A (0.36) KMT2AL3MBTL1ALDH1A1PTPN11NAMPT
SCHEMBL24977816 0.75 FADS1 (0.39) KMT2AALDH1A1PTPN11
SCHEMBL27675064 0.73 L3MBTL1 (0.41) KMT2AL3MBTL1ALDH1A1NPC1TSHR
SCHEMBL425649 0.72 NLRP3 (0.41) KMT2AL3MBTL1ALDH1A1NAMPT
SCHEMBL22531713 0.72 FFAR1 (0.46) KMT2ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973044-B2 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2011-07-05 US disclosed
US-7968547-B2 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-20100160343-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160341-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-7741328-B2 Treating inflammatory diseases such as rheumatoid arthritis, multiple sclerosis or Crohn's disease; Very Late Antigen-4 (VLA-4), also called alpha 4 beta 1 integrin; N-(sulfonamido-substituted pyrimidyl, pyridyl or pyrazyl)-L-4-(N,N-dimethylcarbamyloxy)phenylalanine compounds ELAN PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1144388-B1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS ELAN PHARM INC (US) 2010-01-13 EP disclosed
US-7605166-B2 Synergistic mixture of methotrexate and integrin antigen or antibody ELAN PHARMACEUTICALS INC. (US) 2009-10-20 US disclosed
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP disclosed
US-7378529-B2 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 WYETH (US) 2008-05-27 US disclosed
EP-1635871-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2007-07-18 EP disclosed
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis ELAN PHARMACEUTICALS, INC. (US) 2005-03-24 US disclosed
WO-2005000244-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed
US-20040147512-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20030139402-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated byVLA-4 KONRADI ANDREI W (US) 2003-07-24 US disclosed
US-20030125324-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 KONRADI ANDREI W (US) 2003-07-03 US disclosed
US-6492372-B1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-12-10 US disclosed
CN-1351592-A Acyl derivatives for the treatment of VLA-4 related diseases ELAN PHARM INC (US) 2002-05-29 CN disclosed
EP-1144388-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
WO-2000043372-A1 ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 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 (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-20030139402-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated byVLA-4 VCAM1, ICAM1, ITGB4 KMT2A 686/4885L3MBTL1 164/4885ALDH1A1 386/4885
US-20100160341-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, ITGB4 KMT2A 685/4885L3MBTL1 427/4885ALDH1A1 260/4885
US-20030125324-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 KMT2A 685/4885L3MBTL1 427/4885ALDH1A1 260/4885
US-20040147512-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 KMT2A 685/4885L3MBTL1 427/4885ALDH1A1 260/4885
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis VCAM1, ICAM1, ITGA4 KMT2A 2102/4885L3MBTL1 4523/4885ALDH1A1 445/4885
US-20100160343-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, ITGB4 KMT2A 685/4885L3MBTL1 427/4885ALDH1A1 260/4885

“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.