SCHEMBL10129634

SCHEMBL10129634

O=C(O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 0.64
ICAM1 P05362 20/20 0.64
ITGAL P20701 20/20 0.64
CYP2C9 P11712 1/20 0.61

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
SCHEMBL29739237 1.00 ITGB2 (0.64) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20617064 0.92 ITGB2 (0.61) ITGB2ICAM1ITGALCYP2C9
SCHEMBL30153488 0.91 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20618441 0.91 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9
SCHEMBL13666955 0.91 ITGB2 (0.60) ITGB2ICAM1ITGALCYP2C9
SCHEMBL27044184 0.91 ITGB2 (0.67) ITGB2ICAM1ITGALCYP2C9
SCHEMBL27044019 0.90 ITGB2 (0.58) ITGB2ICAM1ITGALCYP2C9
SCHEMBL10168718 0.90 ITGB2 (0.56) ITGB2ICAM1ITGALCYP2C9
SCHEMBL20711049 0.90 ITGB2 (0.59) ITGB2ICAM1ITGALCYP2C9
SCHEMBL31021041 0.89 ITGB2 (0.62) 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 90 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114689733-A Method for detecting related substances of sitagliptin or preparation thereof 扬子江药业集团南京海陵药业有限公司 2022-07-01 CN claimed
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 claimed
CN-112272665-B Process for preparing ritalst 欧伦股份公司 2024-07-12 CN disclosed
EP-3807268-B1 PROCESS FOR THE PREPARATION OF LIFITEGRAST OLON SPA (IT) 2024-01-24 EP disclosed
EP-3807268-B1 PROCESS FOR THE PREPARATION OF LIFITEGRAST OLON SPA (IT) 2024-01-24 EP disclosed
EP-3645529-B1 PROCESS FOR PREPARING LIFITEGRAST AND INTERMEDIATES THEREOF SCINOPHARM TAIWAN LTD (TW) 2023-11-22 EP disclosed
CN-111747941-B Synthesis method of leflunomide 成都惟邦药业有限公司 2023-10-10 CN disclosed
WO-2023152644-A1 PHARMACEUTICAL COMPOSITION OF LIFITEGRAST AND LOTEPREDNOL ETABONATE ORBICULAR PHARMACEUTICAL TECHNOLOGIES PVT. LTD (IN) 2023-08-17 WO disclosed
US-20230027871-A1 METHOD FOR PREPARING LIFITEGRAST YONSUNG FINE CHEMICAL CO., LTE, (KR) 2023-01-26 US disclosed
US-20230027871-A1 METHOD FOR PREPARING LIFITEGRAST YONSUNG FINE CHEMICAL CO., LTE, (KR) 2023-01-26 US disclosed
US-11498917-B2 Process for the preparation of lifitegrast OLON S.P.A. (IT) 2022-11-15 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 (5 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-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 ITGB2 8/4885ICAM1 5/4885ITGAL 11/4885
US-20230027871-A1 METHOD FOR PREPARING LIFITEGRAST LPXN, CSF3R, LIFR ITGB2 561/4885ICAM1 4756/4885ITGAL 406/4885
US-11498917-B2 Process for the preparation of lifitegrast LIFR, FLT3, F12 ITGB2 908/4885ICAM1 4588/4885ITGAL 590/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ITGB2 8/4885ICAM1 5/4885ITGAL 11/4885
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.