SCHEMBL15445339

SCHEMBL15445339

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.46
MMP2 P08253 5/20 0.45
MMP9 P14780 4/20 0.45
ADAMTS4 O75173 1/20 0.45
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
MAPT P10636 1/20 0.43
FOLH1 Q04609 1/20 0.42
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL15445325 0.89 ALDH1A1 (0.49) ALDH1A1GAAHSD17B10POLBMMP2
SCHEMBL20115488 0.87 ALDH1A1 (0.48) ALDH1A1GAAHSD17B10POLBMMP2
SCHEMBL22693781 0.86 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10POLBMMP2
SCHEMBL22698197 0.86 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10POLBMMP2
SCHEMBL20898143 0.86 ITGB1 (0.47) ALDH1A1GAAHSD17B10POLBITGB1
SCHEMBL29547598 0.86 ITGB1 (0.47) ALDH1A1GAAHSD17B10POLBITGB1
SCHEMBL23744983 0.86 CA12 (0.51) ALDH1A1GAAHSD17B10POLBCA2
SCHEMBL14999575 0.82 ITGB1 (0.45) ALDH1A1GAAHSD17B10POLBITGB1
SCHEMBL10129747 0.80 ITGB1 (0.66) ITGB1ITGA4ITGB2ICAM1ITGAL
SCHEMBL4546557 0.80 ACE (0.60) ALDH1A1ITGB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3645529-B1 PROCESS FOR PREPARING LIFITEGRAST AND INTERMEDIATES THEREOF SCINOPHARM TAIWAN LTD (TW) 2023-11-22 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-9708303-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof SARCODE BIOSCIENCE INC. (US) 2017-07-18 US disclosed
US-20150336939-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2015-11-26 US disclosed
US-9085553-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof SARcode Bioscience, Inc. (US) 2015-07-21 US disclosed
US-20140031387-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2014-01-30 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 (3 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-20140031387-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 ALDH1A1 62/4885GAA 490/4885HSD17B10 3420/4885
US-20150336939-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 ALDH1A1 62/4885GAA 490/4885HSD17B10 3420/4885
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 ALDH1A1 62/4885GAA 490/4885HSD17B10 3420/4885

“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.