SCHEMBL4848463

SCHEMBL4848463

N#Cc1ccc(CC23CCCN2C(=O)N(c2cc(Cl)nc(Cl)c2)C3=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
ITGAL P20701 6/20 0.36
ITGB2 P05107 5/20 0.36
ICAM1 P05362 5/20 0.36
ELANE P08246 1/20 0.34
CYP2D6 P10635 5/20 0.34
TSHR P16473 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
METAP2 P50579 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
CYP3A4 P08684 4/20 0.33
MCHR1 Q99705 2/20 0.33
USP2 O75604 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
EBP Q15125 1/20 0.33
CYP1A2 P05177 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
SCHEMBL16349444 0.93 ITGAL (0.35) HSD11B1ITGALITGB2ICAM1ELANE
SCHEMBL4845276 0.91 ITGAL (0.42) HSD11B1ITGALITGB2ICAM1ELANE
SCHEMBL14264113 0.88 TSHR (0.37) HSD11B1ITGALITGB2ICAM1ELANE
SCHEMBL4841611 0.87 ITGB2 (0.31) HSD11B1ITGALITGB2ICAM1CYP2D6
SCHEMBL4850402 0.87 HSD11B1 (0.36) HSD11B1ITGALITGB2ICAM1ELANE
SCHEMBL4845635 0.86 ITGB2 (0.33) ITGALITGB2ICAM1
SCHEMBL4839852 0.86 ITGAL (0.44) ITGALITGB2ICAM1
SCHEMBL4841669 0.85 ITGB2 (0.32) ITGALITGB2ICAM1
SCHEMBL14264032 0.85 HSD11B1 (0.34) HSD11B1CYP2D6TSHRSMN1; SMN2METAP2
SCHEMBL4847423 0.84 ITGAL (0.38) HSD11B1ITGALITGB2ICAM1CYP2D6

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 HSD11B1 935/4885ITGAL 6/4885ITGB2 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.