SCHEMBL10076669

SCHEMBL10076669

COC(=O)[C@@H]1[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
MMP2 P08253 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ANPEP P15144 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA4 P22748 3/20 0.44
CA7 P43166 3/20 0.44
MAPT P10636 1/20 0.43
CYP19A1 P11511 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MEN1 O00255 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
SCHEMBL8695430 1.00 GAA (0.47) GAATSHRMMP2NPSR1ANPEP
SCHEMBL13151965 1.00 GAA (0.47) GAATSHRMMP2NPSR1ANPEP
SCHEMBL10076668 1.00 GAA (0.47) GAATSHRMMP2NPSR1ANPEP
SCHEMBL13167999 0.87 TSHR (0.57) GAATSHRMMP2NPSR1LMNA
SCHEMBL11991816 0.87 TSHR (0.57) GAATSHRMMP2NPSR1LMNA
SCHEMBL3591352 0.86 MMP2 (0.51) GAATSHRMMP2NPSR1LMNA
SCHEMBL12861953 0.85 MMP2 (0.50) GAATSHRMMP2NPSR1LMNA
SCHEMBL7253115 0.82 MMP2 (0.47) GAATSHRMMP2NPSR1ALDH1A1
SCHEMBL7249120 0.82 MMP2 (0.47) GAATSHRMMP2NPSR1ALDH1A1
SCHEMBL11991820 0.80 ALDH1A1 (0.54) GAATSHRNPSR1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 US disclosed
US-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 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-20120077989-A1 CYCLIC IMIDATE LIGANDS IDH2, CYCS, NAPRT GAA 1983/4885TSHR 688/4885MMP2 4528/4885

“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.