SCHEMBL6512902

SCHEMBL6512902

CN1C(=O)N(Cc2ccccc2)S(=O)(=O)c2cc(C(=O)NCc3ccccc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 7/20 0.51
POLB P06746 2/20 0.51
DRD2 P14416 1/20 0.48
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.45
TP53 P04637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6606914 0.92 ALDH1A1 (0.49) ALDH1A1MAPTPOLBDRD2GAA
SCHEMBL6609773 0.90 ALDH1A1 (0.44) ALDH1A1MAPTPOLBDRD2GAA
SCHEMBL6607141 0.90 MMP13 (0.53) MAPTDRD2GAAKMT2AHPGD
SCHEMBL6517128 0.87 MEN1 (0.43) MAPTMEN1KMT2AHPGD
SCHEMBL6606492 0.86 LMNA (0.52) MAPTDRD2
SCHEMBL6517676 0.86 MAPT (0.44) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL6605189 0.85 MMP13 (0.60) MAPTKMT2AHPGD
SCHEMBL6609494 0.85 LMNA (0.51) MAPTPOLBDRD2MEN1TSHR
SCHEMBL6605355 0.84 LMNA (0.51) ALDH1A1MAPTPOLBDRD2TSHR
SCHEMBL21624598 0.82 HDAC1 (0.48) ALDH1A1MAPTDRD2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6656932-B2 Treating osteoarthritis, rheumatoid arthritis, cancer, inflammation, and heart failure WARNER-LAMBERT COMPANY 2003-12-02 US claimed
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 ALDH1A1 4241/4885MAPT 2826/4885POLB 3500/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 ALDH1A1 3754/4885MAPT 2607/4885POLB 3286/4885
US-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 ALDH1A1 2996/4885MAPT 1438/4885POLB 2653/4885
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 ALDH1A1 2782/4885MAPT 1677/4885POLB 3022/4885

“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.