SCHEMBL6732635

SCHEMBL6732635

CCOCCn1c(=O)c2cc(C(=O)OCc3ccccc3)sc2n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.44
TSHR P16473 2/20 0.44
RAB9A P51151 1/20 0.44
MMP13 P45452 1/20 0.42
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA2B P29275 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
TNF P01375 1/20 0.39

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
SCHEMBL6257988 0.90 MMP13 (0.45) HSD17B10TSHRMMP13KDM4EKMT2A
SCHEMBL6253141 0.90 MMP13 (0.45) HSD17B10TSHRRAB9AMMP13KDM4E
SCHEMBL6254710 0.89 ALDH1A1 (0.46) HSD17B10TSHRMMP13KDM4EKMT2A
SCHEMBL6260489 0.88 MMP13 (0.42) HSD17B10TSHRRAB9AMMP13KDM4E
SCHEMBL6730298 0.88 MMP13 (0.44) HSD17B10TSHRMMP13KDM4EKMT2A
SCHEMBL6733666 0.88 MMP13 (0.44) HSD17B10TSHRMMP13KDM4EKMT2A
SCHEMBL6258180 0.88 MAPT (0.46) HSD17B10TSHRMMP13KDM4EMAPT
SCHEMBL6252686 0.88 MMP13 (0.53) HSD17B10TSHRRAB9AMMP13KDM4E
SCHEMBL6733514 0.88 MMP13 (0.45) HSD17B10TSHRMMP13KDM4EKMT2A
SCHEMBL6255169 0.88 KMT2A (0.46) HSD17B10TSHRMMP13KDM4EKMT2A

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 HSD17B10 504/4885TSHR 3353/4885RAB9A 2581/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 HSD17B10 231/4885TSHR 3857/4885RAB9A 1604/4885
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 HSD17B10 193/4885TSHR 4247/4885RAB9A 2386/4885

“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.