SCHEMBL4843410

SCHEMBL4843410

CCOC(=O)CCCCCOc1c(Cl)cc(N2C(=O)N3CCCC3(Cc3ccc(Br)cc3)C2=O)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 10/20 0.35
ITGB2 P05107 9/20 0.35
ICAM1 P05362 9/20 0.35
FPR2 P25090 2/20 0.34
PROKR1 Q8TCW9 2/20 0.34
FFAR1 O14842 1/20 0.34
GRM4 Q14833 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX3 P56373 1/20 0.32

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
SCHEMBL4848030 0.97 ITGAL (0.36) ITGALITGB2ICAM1FPR2PROKR1
SCHEMBL14254786 0.90 ITGAL (0.38) ITGALITGB2ICAM1FPR2PROKR1
SCHEMBL4841643 0.86 ITGAL (0.37) ITGALITGB2ICAM1KDM4ELMNA
SCHEMBL14264022 0.81 ITGAL (0.43) ITGALITGB2ICAM1
SCHEMBL4850520 0.79 ITGAL (0.38) ITGALITGB2ICAM1GRM4
SCHEMBL4845213 0.77 ITGAL (0.41) ITGALITGB2ICAM1
SCHEMBL4845258 0.76 ITGAL (0.36) ITGALITGB2ICAM1FPR2PROKR1
SCHEMBL4841707 0.76 ITGAL (0.55) ITGALITGB2ICAM1
SCHEMBL4845226 0.76 ITGAL (0.39) ITGALITGB2ICAM1
SCHEMBL4839852 0.73 ITGAL (0.44) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2005-07-07 US disclosed
US-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 US disclosed
EP-1307455-B1 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 EP 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-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion ITGB2, ITGA2B, ITGB1 ITGAL 6/4885ITGB2 1/4885ICAM1 10/4885

“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.