SCHEMBL19134124

SCHEMBL19134124

CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)P)c1

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.90
ICAM1 P05362 20/20 0.90
ITGAL P20701 20/20 0.90
CYP2C9 P11712 1/20 0.90

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
Lifitegrast SCHEMBL22556043 0.95 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL13167919 0.95 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL29386183 0.95 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
SCHEMBL15445331 0.95 ITGB2 (0.92) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL29355715 0.95 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL31010393 0.95 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL2632068 0.95 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20711071 0.93 ITGB2 (0.90) ITGB2ICAM1ITGALCYP2C9
SCHEMBL23422265 0.93 ITGB2 (0.89) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20833718 0.93 ITGB2 (0.89) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2018-05-03 US disclosed
US-9708303-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof SARCODE BIOSCIENCE INC. (US) 2017-07-18 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-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 ITGB2 10/4885ICAM1 7/4885ITGAL 4/4885

“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.