SCHEMBL13588337

SCHEMBL13588337

CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCNC3)C(=O)OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 18/20 0.55
ICAM1 P05362 18/20 0.55
ITGAL P20701 18/20 0.55
CYP2C9 P11712 1/20 0.51
MAPT P10636 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL20833731 1.00 ITGB2 (0.55) ITGB2ICAM1ITGALCYP2C9MAPT
Hydrochloric Acid SCHEMBL31021044 0.99 ITGB2 (0.55) ITGB2ICAM1ITGALCYP2C9MAPT
Hydrochloric Acid SCHEMBL28387762 0.99 ITGB2 (0.55) ITGB2ICAM1ITGALCYP2C9MAPT
Hydrochloric Acid SCHEMBL29547703 0.91 ITGB2 (0.55) ITGB2ICAM1ITGALCYP2C9
SCHEMBL14679326 0.91 ITGB2 (0.46) ITGB2ICAM1ITGALCYP2C9MAPT
SCHEMBL24360217 0.91 ITGB2 (0.54) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20903203 0.90 ITGB2 (0.66) ITGB2ICAM1ITGALCYP2C9
SCHEMBL879313 0.90 ITGB2 (0.66) ITGB2ICAM1ITGALCYP2C9
Hydrochloric Acid SCHEMBL20680587 0.90 ITGB2 (0.65) ITGB2ICAM1ITGALCYP2C9
Hydrochloric Acid SCHEMBL20680588 0.90 ITGB2 (0.65) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11286250-B2 Process for preparing and purifying a LFA-1 antagonist INTERQUIM, S.A. (ES) 2022-03-29 US disclosed
US-20210246123-A1 PROCESS FOR THE PREPARATION OF LIFITEGRAST OLON S.P.A. (IT) 2021-08-12 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
US-20200369651-A1 A PROCESS TO OBTAIN A TETRAHYDROISOQUINOLINE DERIVATIVE MEDICHEM, S.A. (ES) 2020-11-26 US disclosed
US-20200277282-A1 PROCESS FOR PREPARING AND PURIFYING A LFA-1 ANTAGONIST INTERQUIM, S.A. (ES) 2020-09-03 US disclosed
WO-2019053607-A1 PROCESS FOR PREPARATION OF LIFITEGRAST GLENMARK PHARMACEUTICALS LIMITED (IN) 2019-03-21 WO disclosed
WO-2019043724-A1 PROCESSES FOR THE PREPARATION OF (S)-2-(2-(BENZOFURAN-6-CARBONYL)-5,7-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE-6-CARBOXAMIDO)-3-(3-(METHYLSULFONYL)PHENYL) PROPANOIC ACID AND POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2019-03-07 WO disclosed
WO-2019020580-A1 PROCESS FOR PREPARING AND PURIFYING THE LFA-1 ANTAGONIST LIFITEGRAST INTERQUIM, S.A. (ES) 2019-01-31 WO disclosed
WO-2019004936-A1 PROCESS FOR PREPARING LIFITEGRAST AND INTERMEDIATES THEREOF SCINOPHARM TAIWAN, LTD. (TW) 2019-01-03 WO disclosed
US-20160368902-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF SARCODE BIOSCIENCE INC. (US) 2016-12-22 US disclosed
US-8080562-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2011-12-20 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 (7 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-20160368902-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF VCAM1, ICAM1, HLA-DRB1 ITGB2 14/4885ICAM1 2/4885ITGAL 8/4885
US-11286250-B2 Process for preparing and purifying a LFA-1 antagonist LIFR, ITGA1, ITGAL ITGB2 13/4885ICAM1 75/4885ITGAL 3/4885
US-20200277282-A1 PROCESS FOR PREPARING AND PURIFYING A LFA-1 ANTAGONIST LIFR, ITGA1, ITGAL ITGB2 13/4885ICAM1 75/4885ITGAL 3/4885
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-11001574-B2 Process to obtain a tetrahydroisoquinoline derivative KCNQ5, KCNQ4, KCNQ2 ITGB2 3390/4885ICAM1 4655/4885ITGAL 2789/4885

“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.