SCHEMBL6517128

SCHEMBL6517128

CN1C(=O)N(Cc2ccccc2)S(=O)(=O)c2cc(C(=O)O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
PARK7 Q99497 1/20 0.42
HSD11B1 P28845 1/20 0.42
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 4/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
MAPT P10636 2/20 0.40
LPAR2 Q9HBW0 1/20 0.40
CHEK1 O14757 1/20 0.39
HCAR3 P49019 1/20 0.38

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
SCHEMBL6517676 0.90 MAPT (0.44) MEN1KMT2ACA12CA9HSD11B1
SCHEMBL6512805 0.88 MAPT (0.46) HPGDKMT2ACA12CA9MAPT
SCHEMBL6512902 0.87 ALDH1A1 (0.53) MEN1HPGDKMT2AMAPT
SCHEMBL6605521 0.87 CA1 (0.39) CA9HDAC1HDAC2LPAR2
SCHEMBL21624598 0.86 HDAC1 (0.48) MEN1KMT2AHDAC1HDAC2MAPT
SCHEMBL8355360 0.84 MMP13 (0.52) CA12CA9HSD11B1HDAC1HDAC2
SCHEMBL8359007 0.82 CA12 (0.47) CA12CA9HSD11B1
SCHEMBL6606914 0.79 ALDH1A1 (0.49) MAPT
SCHEMBL6606492 0.78 LMNA (0.52) MAPT
SCHEMBL6478451 0.78 MMP13 (0.44) MEN1HPGDKMT2ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
US-20040034085-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 US disclosed
US-20030078276-A1 Matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2003-04-24 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 (4 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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 MEN1 1184/4885HPGD 397/4885KMT2A 2962/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 MEN1 1011/4885HPGD 408/4885KMT2A 2963/4885
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 MEN1 4036/4885HPGD 222/4885KMT2A 1558/4885
US-20040034085-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP11, MMP13, MMP10 MEN1 4034/4885HPGD 215/4885KMT2A 1107/4885

“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.