SCHEMBL13821998

SCHEMBL13821998

C[S+]([O-])c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)O)c1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.81
ICAM1 P05362 20/20 0.81
ITGAL P20701 20/20 0.81
CYP2C9 P11712 1/20 0.77

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
SCHEMBL20618445 1.00 ITGB2 (0.81) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18867790 0.93 ITGB2 (0.80) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18885221 0.93 ITGB2 (0.80) ITGB2ICAM1ITGALCYP2C9
SCHEMBL24359993 0.92 ITGB2 (0.71) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13813644 0.91 ITGB2 (0.78) ITGB2ICAM1ITGALCYP2C9
SCHEMBL18362309 0.90 ITGB2 (0.67) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22583607 0.90 ITGB2 (0.67) ITGB2ICAM1ITGALCYP2C9
SCHEMBL17991463 0.90 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
SCHEMBL16846644 0.90 ITGB2 (0.85) ITGB2ICAM1ITGALCYP2C9
SCHEMBL12704679 0.90 ITGB2 (0.85) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3645529-B1 PROCESS FOR PREPARING LIFITEGRAST AND INTERMEDIATES THEREOF SCINOPHARM TAIWAN LTD (TW) 2023-11-22 EP disclosed
WO-2022084739-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2022-04-28 WO disclosed
US-20090155176-A1 Compositions and methods for treatment of diabetic retinopathy SARCODE CORPORATION (US) 2009-06-18 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-20090155176-A1 Compositions and methods for treatment of diabetic retinopathy VCAM1, ITGB1, ICAM1 ITGB2 11/4885ICAM1 3/4885ITGAL 5/4885

“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.