SCHEMBL6733658

SCHEMBL6733658

O=C(OCc1ccc2[nH]ccc2c1)c1cc2c(=O)n(Cc3ccccc3)c(=O)[nH]c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
MMP13 P45452 1/20 0.43
ENPP2 Q13822 1/20 0.43
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK14 Q16539 2/20 0.38
MAPT P10636 1/20 0.37
FAAH O00519 1/20 0.36
LMNA P02545 4/20 0.36
MAPK10 P53779 2/20 0.36
P2RX3 P56373 2/20 0.36
USP2 O75604 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL6258644 0.87 MMP13 (0.54) MMP13ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL6531805 0.85 TRPA1 (0.55) TRPA1MMP13ENPP2ALDH1A1HPGD
SCHEMBL6727758 0.84 MMP13 (0.42) MMP13ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL6728453 0.83 KDM4E (0.44) MMP13ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL6473178 0.81 KDM4E (0.49) MMP13ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL6259959 0.81 MMP13 (0.49) TRPA1MMP13ALDH1A1HPGDSMN1; SMN2
SCHEMBL6255608 0.81 MMP13 (0.43) MMP13ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL6255363 0.81 MMP13 (0.44) MMP13ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL6258383 0.81 MMP13 (0.46) MMP13ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL6244264 0.80 KMT2A (0.49) MMP13ALDH1A1SMN1; SMN2KDM4ELMNA

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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 TRPA1 3888/4885MMP13 1/4885ENPP2 2058/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 982/4885MMP13 1/4885ENPP2 578/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 671/4885MMP13 1/4885ENPP2 511/4885

“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.