SCHEMBL2058832

SCHEMBL2058832

CCCC(CCC)c1c(Cl)ncnc1Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
ENPP1 P22413 2/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSP90B1 P14625 1/20 0.30

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
SCHEMBL21143476 0.84 NR1I2 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL20621620 0.84 NR1I2 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL20977931 0.83 SELE (0.34) SELEVCAM1ENPP1ALDH1A1LMNA
SCHEMBL6434298 0.78 SELE (0.32) SELEVCAM1ENPP1ALDH1A1LMNA
SCHEMBL24227162 0.71 SELE (0.35) SELEVCAM1ENPP1ALDH1A1LMNA
SCHEMBL16624814 0.71 SELE (0.35) SELEVCAM1ENPP1ALDH1A1LMNA
SCHEMBL16719274 0.70 FFAR1 (0.38) ALDH1A1LMNA
SCHEMBL310462 0.70 RECQL (0.39) SELEVCAM1ENPP1ALDH1A1LMNA
SCHEMBL2059090 0.69 PDE4A (0.34) SELEVCAM1ALDH1A1LMNASMN1; SMN2
SCHEMBL25921193 0.67 ENPP1 (0.38) SELEVCAM1ENPP1ALDH1A1LMNA

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 29 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-6911439-B2 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2005-06-28 US disclosed
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis ELAN PHARMACEUTICALS, INC. (US) 2005-03-24 US disclosed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed
WO-2005000244-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
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 SELE 22/4885VCAM1 1/4885ENPP1 3771/4885
US-20100160341-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, ITGB4 SELE 19/4885VCAM1 1/4885ENPP1 3832/4885
US-20030125324-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 SELE 19/4885VCAM1 1/4885ENPP1 3832/4885
US-20040147512-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 SELE 19/4885VCAM1 1/4885ENPP1 3832/4885
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis VCAM1, ICAM1, ITGA4 SELE 44/4885VCAM1 1/4885ENPP1 1297/4885
US-20100160343-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, ITGB4 SELE 19/4885VCAM1 1/4885ENPP1 3832/4885

“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.