SCHEMBL29547925

SCHEMBL29547925

COC(=O)[C@H](Cc1cccc(S(C)(=O)=O)c1)NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.66
ICAM1 P05362 20/20 0.66
ITGAL P20701 20/20 0.66
CYP2C9 P11712 1/20 0.61

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
SCHEMBL20911446 1.00 ITGB2 (0.66) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22685858 0.93 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22685859 0.93 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9
SCHEMBL4546545 0.93 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL31021036 0.93 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22464900 0.90 ITGB2 (0.72) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22464902 0.90 ITGB2 (0.72) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20833730 0.88 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9
SCHEMBL14679347 0.85 ITGB2 (0.55) ITGB2ICAM1ITGALCYP2C9
SCHEMBL21425560 0.84 ITGB2 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11246862-B2 Process for the preparation of lifitegrast MANKIND PHARMA LTD. (IN) 2022-02-15 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-11246862-B2 Process for the preparation of lifitegrast LIFR, PTGFR, CSF1R ITGB2 839/4885ICAM1 4016/4885ITGAL 527/4885

“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.