SCHEMBL5203833

SCHEMBL5203833

CCOc1ccc(CC2(C)C(=O)N(c3cc(Cl)nc(Cl)c3)C(=O)N2C)cc1F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 12/20 0.50
ICAM1 P05362 12/20 0.50
ITGAL P20701 12/20 0.50
P2RX3 P56373 3/20 0.37
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL5201590 0.85 ITGB2 (0.57) ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL5201987 0.79 ITGB2 (0.55) ITGB2ICAM1ITGALALDH1A1
SCHEMBL4839726 0.79 P2RX3 (0.35) P2RX3KCNQ3KCNQ2PTGS2PTGS1
SCHEMBL5239341 0.78 ITGAL (0.80) ITGB2ICAM1ITGAL
SCHEMBL5204304 0.78 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL7130481 0.78 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL5203942 0.78 ITGAL (0.80) ITGB2ICAM1ITGAL
SCHEMBL5204347 0.76 ITGB2 (0.56) ITGB2ICAM1ITGALP2RX3MAPK1
SCHEMBL5200790 0.75 ITGAL (0.58) ITGB2ICAM1ITGAL
SCHEMBL7706514 0.68 ITGAL (0.60) ITGB2ICAM1ITGAL

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 3 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 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

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 ITGB2 5/4885ICAM1 1/4885ITGAL 13/4885

“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.