SCHEMBL6724882

SCHEMBL6724882

CCC(C)(OC(=O)c1cc2c(=O)n(Cc3ccccc3)c(=O)n(C)c2s1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
TRPA1 O75762 3/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MMP13 P45452 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL6730268 0.90 KMT2A (0.42) KMT2AMEN1TRPA1TSHRPKM
SCHEMBL6730212 0.87 KMT2A (0.42) KMT2AMEN1TRPA1TSHRPKM
SCHEMBL6526000 0.84 TSHR (0.43) KMT2AMEN1TRPA1TSHRPKM
SCHEMBL6529705 0.84 TSHR (0.53) KMT2AMEN1TRPA1TSHRPKM
SCHEMBL6235401 0.84 KDM4E (0.54) KMT2ATRPA1TSHRSMN1; SMN2ALDH1A1
SCHEMBL6252686 0.82 MMP13 (0.53) KMT2AMEN1TRPA1TSHRPKM
SCHEMBL6730309 0.81 KMT2A (0.42) KMT2AMEN1TRPA1TSHRPKM
SCHEMBL6733492 0.81 TSHR (0.42) KMT2AMEN1TRPA1TSHRPKM
SCHEMBL6724730 0.81 SMN1; SMN2 (0.40) KMT2AMEN1TRPA1TSHRPKM
SCHEMBL6724735 0.81 TRPA1 (0.39) KMT2AMEN1TRPA1TSHRPKM

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 KMT2A 1976/4885MEN1 3056/4885TRPA1 3888/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 KMT2A 1264/4885MEN1 4353/4885TRPA1 982/4885
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 KMT2A 1331/4885MEN1 4110/4885TRPA1 671/4885

“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.