SCHEMBL879316

SCHEMBL879316

COC(=O)[C@@H](N)Cc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.49
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 3/20 0.46
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41

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
SCHEMBL12718972 1.00 SLC7A5 (0.49) SLC7A5CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL28435545 0.99 ALDH1A1 (0.48) SLC7A5CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL28435547 0.99 ALDH1A1 (0.48) SLC7A5CA12CA1CA2CA9
SCHEMBL10129737 0.89 CA1 (0.58) SLC7A5CA12CA1CA2CA9
SCHEMBL31753168 0.88 SLC7A5 (0.42) SLC7A5CA12CA1CA2CA9
SCHEMBL23386443 0.86 GRM2 (0.44) SLC7A5CA12CA1CA2CA9
SCHEMBL15445330 0.85 ALDH1A1 (0.46) SLC7A5ALDH1A1GAAHSD17B10NOS3
Hydrochloric Acid SCHEMBL29945253 0.85 CA12 (0.49) SLC7A5CA12CA1CA2CA9
SCHEMBL4546544 0.85 ALDH1A1 (0.45) SLC7A5CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL28437277 0.85 CA12 (0.49) SLC7A5CA12CA1CA2CA9

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027871-A1 METHOD FOR PREPARING LIFITEGRAST YONSUNG FINE CHEMICAL CO., LTE, (KR) 2023-01-26 US disclosed
US-20210246123-A1 PROCESS FOR THE PREPARATION OF LIFITEGRAST OLON S.P.A. (IT) 2021-08-12 US disclosed
WO-2021107514-A2 METHOD FOR PREPARING LIFITEGRAST 연성정밀화학(주) 2021-06-03 WO disclosed
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 US disclosed
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2019-05-09 US disclosed
WO-2019026014-A1 PROCESSES FOR PREPARATION OF LIFITEGRAST AND INTERMEDIATES THEREOF DR. REDDY'S LABORATORIES LIMITED (IN) 2019-02-07 WO disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US disclosed
US-9248126-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2016-02-02 US disclosed
US-9248126-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2016-02-02 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 SLC7A5 3262/4885CA12 4549/4885CA1 4605/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 SLC7A5 3262/4885CA12 4549/4885CA1 4605/4885
US-20230027871-A1 METHOD FOR PREPARING LIFITEGRAST LPXN, CSF3R, LIFR SLC7A5 4076/4885CA12 3046/4885CA1 3354/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 SLC7A5 3276/4885CA12 4551/4885CA1 4618/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 SLC7A5 3262/4885CA12 4549/4885CA1 4605/4885
US-20210246123-A1 PROCESS FOR THE PREPARATION OF LIFITEGRAST LIFR, FLT3, F12 SLC7A5 557/4885CA12 1185/4885CA1 568/4885
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 SLC7A5 3262/4885CA12 4549/4885CA1 4605/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 SLC7A5 3333/4885CA12 4549/4885CA1 4600/4885

“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.