SCHEMBL2773393

SCHEMBL2773393

Cc1ccc(S(=O)(=O)O[C@@H](C(=O)O)[C@@H](OS(=O)(=O)c2ccc(C)cc2)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
GAA P10253 2/20 0.43
MMP9 P14780 3/20 0.43
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP13 P45452 2/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
STAT3 P40763 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MMP8 P22894 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 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
SCHEMBL28080723 1.00 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1GAAMMP9
SCHEMBL4755110 0.90 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1GAAMMP9
SCHEMBL6156149 0.90 MMP9 (0.42) SLC1A3SLC1A2SLC1A1GAAMMP9
SCHEMBL2770328 0.90 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1GAAMMP9
SCHEMBL17821130 0.86 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1GAAMMP9
SCHEMBL1869422 0.84 MMP9 (0.45) SLC1A3SLC1A2SLC1A1GAAMMP9
SCHEMBL4372757 0.84 MMP9 (0.45) SLC1A3SLC1A2SLC1A1GAAMMP9
SCHEMBL2325722 0.84 MMP9 (0.45) SLC1A3SLC1A2SLC1A1GAAMMP9
SCHEMBL8555153 0.83 CYP2D6 (0.39) SLC1A3SLC1A2SLC1A1GAAMMP9
SCHEMBL30829041 0.82 TSHR (0.44) SLC1A3SLC1A2SLC1A1MMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087662-A1 CHIRAL SALEN CATALYSTS AND METHODS FOR THE PREPARATION OF CHIRAL COMPOUNDS FROM RACEMIC EPOXIDES BY USING THEM CHIROCHEM CO., LTD (KP) 2010-04-08 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 (1 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-20100087662-A1 CHIRAL SALEN CATALYSTS AND METHODS FOR THE PREPARATION OF CHIRAL COMPOUNDS FROM RACEMIC EPOXIDES BY USING THEM SRR, SQLE, EPHX1 SLC1A3 4635/4885SLC1A2 4156/4885SLC1A1 4450/4885

“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.