SCHEMBL2769890

SCHEMBL2769890

CCC(=O)Oc1c(Nc2nc(N(CC)CC)ncc2N(C(C)C)S(=O)(=O)c2ccc(Cl)cc2)cccc1OC(=O)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.37
ITGA4 P13612 12/20 0.37
ITGB7 P26010 8/20 0.35
LMNA P02545 1/20 0.33
ITGAV P06756 1/20 0.32
PSEN1 P49768 5/20 0.32
PSEN2 P49810 5/20 0.32
APH1B Q8WW43 5/20 0.32
NCSTN Q92542 5/20 0.32
APH1A Q96BI3 5/20 0.32
PSENEN Q9NZ42 5/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EGFR P00533 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
SCHEMBL2770607 0.93 ITGB1 (0.38) ITGB1ITGA4ITGB7ITGAVALDH1A1
SCHEMBL2770376 0.91 ITGB1 (0.36) ITGB1ITGA4ITGB7ITGAV
SCHEMBL2773314 0.86 ITGB1 (0.35) ITGB1ITGA4ITGB7EGFR
SCHEMBL5164317 0.86 ITGB1 (0.38) ITGB1ITGA4ITGB7LMNAITGAV
Hydrochloric Acid SCHEMBL2769223 0.85 ITGB1 (0.38) ITGB1ITGA4ITGB7LMNAITGAV
SCHEMBL6038523 0.85 ITGB1 (0.35) ITGB1ITGA4ITGB7ITGAV
SCHEMBL2814333 0.85 ITGB1 (0.35) ITGB1ITGA4ITGB7LMNAALDH1A1
SCHEMBL2809357 0.83 ITGB1 (0.35) ITGB1ITGA4ITGB7ITGAV
SCHEMBL4453860 0.83 ITGB1 (0.38) ITGB1ITGA4ITGB7LMNAITGAV
SCHEMBL2770852 0.83 ITGB1 (0.40) ITGB1ITGA4ITGB7ITGAVALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8269009-B2 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
EP-1507533-B1 HETEROARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA-4 INTEGRINS ELAN PHARM INC (US) 2010-04-14 EP disclosed
US-20090312353-A1 Methods and compositions for treating liquid tumors ELAN PHARMACEUTICALS, INC. 2009-12-17 US disclosed
US-7605166-B2 Synergistic mixture of methotrexate and integrin antigen or antibody ELAN PHARMACEUTICALS INC. (US) 2009-10-20 US disclosed
EP-1507533-A4 HETEROARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA-4 INTEGRINS ELAN PHARM INC (US) 2007-05-23 EP disclosed
US-20060004019-A1 Steroid sparing agents and methods of using same BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2006-01-05 US disclosed
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis ELAN PHARMACEUTICALS, INC. (US) 2005-03-24 US disclosed
EP-1507533-A2 HETEROARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA-4 INTEGRINS Elan Pharmaceuticals, Inc. (US) 2005-02-23 EP disclosed
WO-2003099231-A2 HETEROARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2003-12-04 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 (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-20090312353-A1 Methods and compositions for treating liquid tumors ITGB4, ITGA4, ITGB3 ITGB1 4/4885ITGA4 2/4885ITGB7 13/4885
US-20060004019-A1 Steroid sparing agents and methods of using same IL5, FCER2, CD40 ITGB1 305/4885ITGA4 298/4885ITGB7 485/4885
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis VCAM1, ICAM1, ITGA4 ITGB1 8/4885ITGA4 3/4885ITGB7 38/4885

“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.