SCHEMBL2058765

SCHEMBL2058765

FC(F)(F)Cc1c(Cl)ncnc1Cl

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL2058771 0.74 PDE4A (0.36) ALDH1A1LMNASMN1; SMN2PDE4APDE4B
SCHEMBL1484535 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL24309980 0.70 KDM4E (0.35) ALDH1A1SMN1; SMN2
SCHEMBL24583151 0.69 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2PDE4APDE4B
SCHEMBL28149801 0.67 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2PDE4APDE4B
SCHEMBL11422206 0.67 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2PDE4APDE4B
SCHEMBL1899247 0.67 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2PDE4APDE4B
SCHEMBL19032290 0.67 KMT2A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL25227678 0.67 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL18292165 0.67 SELE (0.31) PDE4APDE4BPDE4CPDE4D

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 46 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-7745454-B2 Alpha amino acid derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2010-06-29 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-20080182850-A1 3-(HETEROARYL)ALANINE DERIVATIVES-INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 WYETH 2008-07-31 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
US-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-05-09 US disclosed
US-20020052470-A1 Alpha amino acid derivatives--inhibitors of leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-05-02 US disclosed
US-20020052375-A1 3-(Heteroaryal) alanine derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-05-02 US disclosed
WO-2002008203-A2 3-(HETEROARYL) ALANINE DERIVATIVES-INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 WO disclosed
WO-2002008202-A2 ALPHA AMINO ACID DERIVATIVES--INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 WO disclosed
WO-2002008206-A1 3-AMINO-2-(4-AMINOCARBONYLOXY)PHENYL-PROPIONIC ACID DERIVATIVES AS ALPHA-4- INTEGRIN INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 WO 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 (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-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ITGB4, ITGA4, ITGB3 ALDH1A1 1200/4885LMNA 2515/4885SMN1; SMN2 3112/4885
US-20100160341-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, ITGB4 ALDH1A1 260/4885LMNA 3669/4885SMN1; SMN2 2266/4885
US-20030125324-A1 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 ALDH1A1 260/4885LMNA 3669/4885SMN1; SMN2 2266/4885
US-20080182850-A1 3-(HETEROARYL)ALANINE DERIVATIVES-INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, AADAT, ICAM1 ALDH1A1 376/4885LMNA 3237/4885SMN1; SMN2 1541/4885
US-20020052375-A1 3-(Heteroaryal) alanine derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGAL ALDH1A1 572/4885LMNA 3715/4885SMN1; SMN2 1517/4885
US-20020052470-A1 Alpha amino acid derivatives--inhibitors of leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 ALDH1A1 455/4885LMNA 3508/4885SMN1; SMN2 1782/4885
US-20100160343-A1 HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, ICAM1, ITGB4 ALDH1A1 260/4885LMNA 3669/4885SMN1; SMN2 2266/4885

“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.