SCHEMBL5203623

SCHEMBL5203623

CC1(Cc2ccc(C#N)cc2)NC(=O)N(c2cc(Cl)nc(Cl)c2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 7/20 0.58
ITGB2 P05107 6/20 0.40
ICAM1 P05362 6/20 0.40
ELANE P08246 1/20 0.38
MCHR1 Q99705 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AR P10275 2/20 0.36
POLB P06746 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
TAS2R8 Q9NYW2 1/20 0.34
PGR P06401 1/20 0.33

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
SCHEMBL5206692 1.00 ITGAL (0.58) ITGALITGB2ICAM1ELANEMCHR1
SCHEMBL5201254 0.85 ITGAL (0.61) ITGALITGB2ICAM1AR
SCHEMBL5206070 0.85 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL5206081 0.85 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL7704334 0.80 ITGAL (0.79) ITGALITGB2ICAM1
SCHEMBL13817030 0.80 ITGAL (0.58) ITGALITGB2ICAM1ELANETMEM97
SCHEMBL5200782 0.79 ITGAL (0.58) ITGALITGB2ICAM1ELANEMCHR1
SCHEMBL5200790 0.79 ITGAL (0.58) ITGALITGB2ICAM1ELANEMCHR1
SCHEMBL6314317 0.73 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL6314324 0.73 ITGAL (1.00) ITGALITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1284973-B1 INHIBITORS OF ALPHA L BETA 2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2007-06-27 EP claimed
US-6699888-B2 ANTIINFLAMMATORY TANABE SEIYAKU CO., LTD. (JP) 2004-03-02 US claimed
US-20030225138-A1 Inhibitors of alpha l beta 2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-12-04 US claimed
EP-1284973-A2 INHIBITORS OF ALPHA L BETA 2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-02-26 EP claimed
WO-2001092253-A2 INHIBITORS OF ALPHA L BETA 2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-12-06 WO claimed
EP-1284973-B1 INHIBITORS OF ALPHA L BETA 2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2007-06-27 EP disclosed
EP-1284973-B1 INHIBITORS OF ALPHA L BETA 2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2007-06-27 EP disclosed
US-6699888-B2 ANTIINFLAMMATORY TANABE SEIYAKU CO., LTD. (JP) 2004-03-02 US disclosed
US-20030225138-A1 Inhibitors of alpha l beta 2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-12-04 US disclosed
EP-1284973-A2 INHIBITORS OF ALPHA L BETA 2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-02-26 EP disclosed
WO-2001092253-A2 INHIBITORS OF ALPHA L BETA 2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-12-06 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 (1 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-20030225138-A1 Inhibitors of alpha l beta 2 mediated cell adhesion ICAM1, VCAM1, SELL ITGAL 13/4885ITGB2 5/4885ICAM1 1/4885

“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.