SCHEMBL6727645

SCHEMBL6727645

CC(OC(=O)c1cc2c(=O)n(Cc3ccccc3)c(=O)n(C)c2s1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.40
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
MMP13 P45452 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6730154 0.89 TRPA1 (0.43) TRPA1KDM4EUSP2ALDH1A1MAPT
SCHEMBL6730309 0.88 KMT2A (0.42) TRPA1KDM4EUSP2ALDH1A1MAPT
SCHEMBL7100560 0.85 TRPA1 (0.41) TRPA1KDM4EUSP2ALDH1A1MAPT
SCHEMBL6736766 0.85 TRPA1 (0.41) TRPA1KDM4EUSP2ALDH1A1MAPT
SCHEMBL6724731 0.84 TRPA1 (0.41) TRPA1KDM4EALDH1A1MAPTHPGD
SCHEMBL6474714 0.83 TSHR (0.44) TRPA1KDM4EALDH1A1MAPTHPGD
SCHEMBL6724877 0.83 KMT2A (0.45) TRPA1KDM4ESMN1; SMN2PKMRAB9A
SCHEMBL6724911 0.82 KMT2A (0.42) TRPA1KDM4EUSP2ALDH1A1MAPT
SCHEMBL6235401 0.82 KDM4E (0.54) TRPA1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6735401 0.82 TRPA1 (0.42) TRPA1KDM4EALDH1A1MAPTHPGD

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 3888/4885KDM4E 1577/4885USP2 3304/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TRPA1 982/4885KDM4E 476/4885USP2 1457/4885
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 671/4885KDM4E 559/4885USP2 1457/4885

“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.