SCHEMBL4546553

SCHEMBL4546553

CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)OCc2ccccc2)c1

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 20/20 0.87
▸ ICAM1 P05362 20/20 0.87
▸ ITGAL P20701 20/20 0.87
▸ CYP2C9 P11712 1/20 0.87

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
SCHEMBL20833710 1.00 ITGB2 (0.87) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22476466 0.94 ITGB2 (0.78) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20833713 0.94 ITGB2 (0.87) ITGB2ICAM1ITGALCYP2C9
SCHEMBL23422265 0.94 ITGB2 (0.89) ITGB2ICAM1ITGALCYP2C9
SCHEMBL29720428 0.94 ITGB2 (0.89) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20833718 0.94 ITGB2 (0.89) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL31010393 0.93 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL2632068 0.93 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL22556043 0.93 ITGB2 (1.00) ITGB2ICAM1ITGALCYP2C9
Lifitegrast SCHEMBL29355715 0.93 ITGB2 (1.00) 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 58 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
US-20230331711-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF BAUSCH + LOMB IRELAND LIMITED (IE) 2023-10-19 — — US disclosed
US-20230331711-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF BAUSCH + LOMB IRELAND LIMITED (IE) 2023-10-19 — — US disclosed
US-11345683-B2 Process for the preparation of lifitegrast AUROBINDO PHARMA LTD (IN) 2022-05-31 — — US disclosed
US-20220073500-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF NOVARTIS PHARMACEUTICALS CORPORATION (US) 2022-03-10 — — US disclosed
US-20210246123-A1 PROCESS FOR THE PREPARATION OF LIFITEGRAST OLON S.P.A. (IT) 2021-08-12 — — US disclosed
US-11028077-B2 Crystalline pharmaceutical and methods of preparation and use thereof NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-06-08 — — US disclosed
US-11001574-B2 Process to obtain a tetrahydroisoquinoline derivative MEDICHEM S.A. (ES) 2021-05-11 — — US disclosed
US-20210032226-A1 A PROCESS FOR THE PREPARATION OF LIFITEGRAST AUROBINDO PHARMA LTD (IN) 2021-02-04 — — US disclosed
US-10906892-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-02-02 — — US disclosed
US-20130144063-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARCODE BIOSCIENCE INC. (US) 2013-06-06 — — US disclosed
US-8378105-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2013-02-19 — — US disclosed
US-8378105-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2013-02-19 — — US disclosed
US-8367701-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2013-02-05 — — US disclosed
US-8367701-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2013-02-05 — — US disclosed
US-20120107404-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARCODE BIOSCIENCE INC. (US) 2012-05-03 — — US disclosed
US-8080562-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2011-12-20 — — US disclosed
US-8080562-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2011-12-20 — — US disclosed
US-20110092707-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof SARCODE CORPORATION (US) 2011-04-21 — — US disclosed
US-20090298869-A1 Crystalline pharmaceutical and methods of preparation and use thereof CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2009-12-03 — — 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 (12 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-11345683-B2 Process for the preparation of lifitegrast LIFR, IDUA, LMTK2 ITGB2 1113/4885ICAM1 4692/4885ITGAL 1125/4885
US-11028077-B2 Crystalline pharmaceutical and methods of preparation and use thereof VCAM1, ICAM1, HLA-DRB1 ITGB2 14/4885ICAM1 2/4885ITGAL 8/4885
US-20120107404-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 ITGB2 14/4885ICAM1 2/4885ITGAL 8/4885
US-20220073500-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF VCAM1, ICAM1, HLA-DRB1 ITGB2 14/4885ICAM1 2/4885ITGAL 8/4885
US-20130144063-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 ITGB2 14/4885ICAM1 2/4885ITGAL 8/4885
US-20090298869-A1 Crystalline pharmaceutical and methods of preparation and use thereof VCAM1, ICAM1, HLA-DRB1 ITGB2 14/4885ICAM1 2/4885ITGAL 8/4885
US-20210246123-A1 PROCESS FOR THE PREPARATION OF LIFITEGRAST LIFR, FLT3, F12 ITGB2 908/4885ICAM1 4588/4885ITGAL 590/4885
US-20230331711-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF VCAM1, ICAM1, HLA-DRB1 ITGB2 14/4885ICAM1 2/4885ITGAL 8/4885
US-20110092707-A1 Crystalline Pharmaceutical and Methods of Preparation and Use Thereof VCAM1, ICAM1, HLA-DRB1 ITGB2 14/4885ICAM1 2/4885ITGAL 8/4885
US-20210032226-A1 A PROCESS FOR THE PREPARATION OF LIFITEGRAST LIFR, BDKRB2, IDUA ITGB2 1203/4885ICAM1 4590/4885ITGAL 1297/4885
US-11001574-B2 Process to obtain a tetrahydroisoquinoline derivative KCNQ5, KCNQ4, KCNQ2 ITGB2 3390/4885ICAM1 4655/4885ITGAL 2789/4885
US-10906892-B2 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.

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