SCHEMBL22464799

SCHEMBL22464799

O=C(N[C@@H](Cc1cccc(C[SH](=O)=O)c1)C(=O)O)c1c(Cl)cc2c(c1Cl)CCNC2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 19/20 0.49
▸ ICAM1 P05362 19/20 0.49
▸ ITGAL P20701 19/20 0.49
▸ CYP2C9 P11712 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL18868515 0.85 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9L3MBTL1
SCHEMBL20903203 0.84 ITGB2 (0.66) ITGB2ICAM1ITGALCYP2C9
SCHEMBL879313 0.84 ITGB2 (0.66) ITGB2ICAM1ITGALCYP2C9
Hydrochloric Acid SCHEMBL20680588 0.84 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
Hydrochloric Acid SCHEMBL20680587 0.84 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL15445327 0.80 ITGB2 (0.46) ITGB2ICAM1ITGALCYP2C9L3MBTL1
SCHEMBL19134123 0.80 ITGB2 (0.42) ITGB2ICAM1ITGALCYP2C9L3MBTL1
SCHEMBL13588336 0.78 POLB (0.48) ITGB2ICAM1ITGALCYP2C9
SCHEMBL15445340 0.78 ITGB2 (0.59) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19134129 0.77 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 2 patents. 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
US-20200306242-A1 NOVEL PROCESS FOR THE PREPARATION OF LIFITEGRAST MANKIND PHARMA LTD. (IN) 2020-10-01 — — 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 (2 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
US-20200306242-A1 NOVEL PROCESS FOR THE PREPARATION OF LIFITEGRAST LIFR, CSF1R, CSF3R ITGB2 764/4885ICAM1 3758/4885ITGAL 515/4885

“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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