SCHEMBL4546545

SCHEMBL4546545

CC(C)(C)OC(=O)N1CCc2c(cc(Cl)c(C(=O)N[C@@H](Cc3cccc(S(C)(=O)=O)c3)C(=O)OCc3ccccc3)c2Cl)C1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 19/20 0.65
ICAM1 P05362 19/20 0.65
ITGAL P20701 19/20 0.65
CYP2C9 P11712 1/20 0.60

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
SCHEMBL31021036 1.00 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20911446 0.93 ITGB2 (0.66) ITGB2ICAM1ITGALCYP2C9
SCHEMBL29547925 0.93 ITGB2 (0.66) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22685858 0.92 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9
SCHEMBL22685859 0.92 ITGB2 (0.75) ITGB2ICAM1ITGALCYP2C9
SCHEMBL14679347 0.92 ITGB2 (0.55) ITGB2ICAM1ITGALCYP2C9
SCHEMBL28730947 0.89 ITGB2 (0.52) ITGB2ICAM1ITGALCYP2C9
SCHEMBL29402100 0.89 ITGB2 (0.52) ITGB2ICAM1ITGALCYP2C9
SCHEMBL14679346 0.88 ITGB2 (0.64) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20833729 0.88 ITGB2 (0.51) 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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-10906892-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-02-02 US disclosed
US-20200369651-A1 A PROCESS TO OBTAIN A TETRAHYDROISOQUINOLINE DERIVATIVE MEDICHEM, S.A. (ES) 2020-11-26 US disclosed
EP-3715345-A2 PREPARATION OF LFA-1 INHIBITOR AND POLYMORPH THEREOF Novartis AG (CH) 2020-09-30 EP disclosed
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2018-05-03 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-20200369651-A1 A PROCESS TO OBTAIN A TETRAHYDROISOQUINOLINE DERIVATIVE LMTK2, CYP11B2, KCNQ5 ITGB2 3633/4885ICAM1 4733/4885ITGAL 3195/4885
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-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
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.