SCHEMBL13662072

SCHEMBL13662072

O=C[C@H](CNC(=O)c1cccc(F)c1)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.64
▸ ICAM1 P05362 20/20 0.64
▸ ITGAL P20701 20/20 0.64
▸ CYP2C9 P11712 1/20 0.59

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
SCHEMBL13658129 0.91 ITGB2 (0.77) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13667755 0.81 ITGB2 (0.84) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13662073 0.81 ITGB2 (0.84) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13662080 0.80 ITGB2 (0.79) ITGB2ICAM1ITGAL
SCHEMBL18868601 0.80 ITGB2 (0.84) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13813606 0.80 ITGB2 (0.59) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13665399 0.80 ITGB2 (0.64) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18868509 0.80 ITGB2 (0.59) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13662074 0.80 ITGB2 (0.64) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13665313 0.79 ITGB2 (0.58) ITGB2ICAM1ITGALCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009128933-A1 AEROSOLIZED LFA-1 ANTAGONISTS FOR USE IN LOCALIZED TREATMENT OF IMMUNE RELATED DISORDERS SARCODE CORPORATION (US) 2009-10-22 — — WO disclosed
WO-2009128934-A1 TOPICAL LFA-1 ANTAGONISTS FOR USE IN LOCALIZED TREATMENT OF IMMUNE RELATED DISORDERS SARCODE CORPORATION (US) 2009-10-22 — — WO disclosed
WO-2009128932-A1 DELIVERY OF LFA-1 ANTAGONISTS TO THE GASTROINTESTINAL SYSTEM SARCODE CORPORATION (US) 2009-10-22 — — WO disclosed
US-20090257957-A1 Aerosolized LFA-1 antagonists for use in localized treatment of immune related disorders NOVARTIS AG (CH) 2009-10-15 — — US disclosed
US-20090258070-A1 Topical LFA-1 antagonists for use in localized treatment of immune related disorders NOVARTIS AG (CH) 2009-10-15 — — US disclosed
US-20090258069-A1 Delivery of LFA-1 antagonists to the gastrointestinal system 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 (3 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-20090258070-A1 Topical LFA-1 antagonists for use in localized treatment of immune related disorders VCAM1, ICAM1, CD69 ITGB2 10/4885ICAM1 2/4885ITGAL 4/4885
US-20090258069-A1 Delivery of LFA-1 antagonists to the gastrointestinal system VCAM1, ITGAL, HAVCR2 ITGB2 12/4885ICAM1 4/4885ITGAL 2/4885
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.

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