SCHEMBL13667993

SCHEMBL13667993

CS(=O)(=O)c1ccc(C[C@@H](C=O)NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)o1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.84
ICAM1 P05362 20/20 0.84
ITGAL P20701 20/20 0.84
CYP2C9 P11712 1/20 0.65

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
SCHEMBL879369 0.91 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13662089 0.90 ITGB2 (0.69) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13662073 0.86 ITGB2 (0.84) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13667755 0.85 ITGB2 (0.84) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13662091 0.84 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13662074 0.84 ITGB2 (0.64) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18868601 0.83 ITGB2 (0.84) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12169784 0.81 ITGB2 (0.81) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19157549 0.81 ITGB2 (0.81) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4755977 0.81 ITGB2 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090257957-A1 Aerosolized LFA-1 antagonists for use in localized treatment of immune related disorders NOVARTIS AG (CH) 2009-10-15 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-20090257957-A1 Aerosolized LFA-1 antagonists for use in localized treatment of immune related disorders ICAM1, ITGAL, ITGA1 ITGB2 9/4885ICAM1 1/4885ITGAL 2/4885

“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.