SCHEMBL879313

SCHEMBL879313

CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCNC3)C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 19/20 0.66
ICAM1 P05362 19/20 0.66
ITGAL P20701 19/20 0.66
CYP2C9 P11712 1/20 0.60
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46

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
SCHEMBL20903203 1.00 ITGB2 (0.66) ITGB2ICAM1ITGALCYP2C9ITGB1
Hydrochloric Acid SCHEMBL20680587 0.99 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9ITGB1
Hydrochloric Acid SCHEMBL20680588 0.99 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9ITGB1
SCHEMBL15445340 0.93 ITGB2 (0.59) ITGB2ICAM1ITGALCYP2C9
SCHEMBL19134129 0.92 ITGB2 (0.57) ITGB2ICAM1ITGALCYP2C9
SCHEMBL21003968 0.92 ITGB2 (0.56) ITGB2ICAM1ITGALCYP2C9ITGB1
Hydrochloric Acid SCHEMBL29547703 0.91 ITGB2 (0.55) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13588337 0.90 ITGB2 (0.55) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20833731 0.90 ITGB2 (0.55) ITGB2ICAM1ITGALCYP2C9
Hydrochloric Acid SCHEMBL31021044 0.90 ITGB2 (0.55) 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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807268-B1 PROCESS FOR THE PREPARATION OF LIFITEGRAST OLON SPA (IT) 2024-01-24 EP disclosed
WO-2022084739-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2022-04-28 WO disclosed
US-11286250-B2 Process for preparing and purifying a LFA-1 antagonist INTERQUIM, S.A. (ES) 2022-03-29 US disclosed
US-11246862-B2 Process for the preparation of lifitegrast MANKIND PHARMA LTD. (IN) 2022-02-15 US disclosed
US-11246862-B2 Process for the preparation of lifitegrast MANKIND PHARMA LTD. (IN) 2022-02-15 US disclosed
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 US disclosed
US-11001574-B2 Process to obtain a tetrahydroisoquinoline derivative MEDICHEM S.A. (ES) 2021-05-11 US disclosed
EP-3658549-B1 PROCESS FOR PREPARING AND PURIFYING THE LFA-1 ANTAGONIST LIFITEGRAST INTERQUIM SA (ES) 2021-05-05 EP disclosed
EP-3797775-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DIABETIC RETINOPATHY Novartis AG (CH) 2021-03-31 EP disclosed
US-20200369652-A1 PROCESSES FOR PREPARATION OF LIFITEGRAST AND INTERMEDIATES THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2020-11-26 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 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 (8 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-20210145824-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ITGB2 8/4885ICAM1 5/4885ITGAL 11/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 ITGB2 8/4885ICAM1 5/4885ITGAL 11/4885
US-11246862-B2 Process for the preparation of lifitegrast LIFR, PTGFR, CSF1R ITGB2 839/4885ICAM1 4016/4885ITGAL 527/4885
US-11286250-B2 Process for preparing and purifying a LFA-1 antagonist LIFR, ITGA1, ITGAL ITGB2 13/4885ICAM1 75/4885ITGAL 3/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ITGB2 8/4885ICAM1 5/4885ITGAL 11/4885
US-20200369652-A1 PROCESSES FOR PREPARATION OF LIFITEGRAST AND INTERMEDIATES THEREOF LIFR, FLT3, CSF3R ITGB2 951/4885ICAM1 4625/4885ITGAL 443/4885
US-11001574-B2 Process to obtain a tetrahydroisoquinoline derivative KCNQ5, KCNQ4, KCNQ2 ITGB2 3390/4885ICAM1 4655/4885ITGAL 2789/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ITGB2 8/4885ICAM1 5/4885ITGAL 11/4885

“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.