SCHEMBL6724943

SCHEMBL6724943

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCC3C=Cc4ccccc4O3)sc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.36
TSHR P16473 3/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
HPGD P15428 4/20 0.35
TRPA1 O75762 2/20 0.35
LMNA P02545 2/20 0.35
ESR1 P03372 1/20 0.35
ALOX15 P16050 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
MMP13 P45452 2/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
CYP3A4 P08684 1/20 0.34
PSMD14 O00487 1/20 0.33

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
SCHEMBL6729291 0.83 HSD17B10 (0.38) HSD17B10TSHRKDM4EALDH1A1MAPT
SCHEMBL6724880 0.81 L3MBTL1 (0.43) HSD17B10TSHRKDM4EALDH1A1HPGD
SCHEMBL6525287 0.81 KMT2A (0.41) HSD17B10TSHRKDM4EALDH1A1MAPT
SCHEMBL6252686 0.79 MMP13 (0.53) HSD17B10TSHRKDM4EALDH1A1MAPT
SCHEMBL6529705 0.79 TSHR (0.53) HSD17B10TSHRKDM4EALDH1A1MAPT
SCHEMBL6730039 0.79 MEN1 (0.40) HSD17B10TSHRKDM4EALDH1A1MAPT
SCHEMBL6724777 0.78 TSHR (0.40) HSD17B10TSHRKDM4EALDH1A1MAPT
SCHEMBL6727774 0.78 ALDH1A1 (0.47) HSD17B10TSHRKDM4EALDH1A1MAPT
SCHEMBL6533924 0.78 MMP13 (0.49) HSD17B10TSHRKDM4EALDH1A1MAPT
SCHEMBL6729257 0.78 TRPA1 (0.41) HSD17B10TSHRKDM4EALDH1A1MAPT

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 3353/4885KDM4E 1577/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 HSD17B10 231/4885TSHR 3857/4885KDM4E 476/4885
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 4247/4885KDM4E 559/4885

“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.