Sugi Predict

Sugi Predict / Compounds / SCHEMBL6729291

SCHEMBL6729291

SCHEMBL6729291

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCC3C=Cc4ccccc4S3)sc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ TRPA1 O75762 2/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ PSMD14 O00487 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL6532866 0.85 ALDH1A1 (0.37) HSD17B10TSHRKMT2AMEN1KDM4E
SCHEMBL6724943 0.83 HSD17B10 (0.36) HSD17B10TSHRKMT2AMEN1TRPA1
SCHEMBL6529705 0.82 TSHR (0.53) HSD17B10TSHRKMT2AMEN1TRPA1
SCHEMBL6525287 0.81 KMT2A (0.41) HSD17B10TSHRKMT2AMEN1TRPA1
SCHEMBL6526000 0.80 TSHR (0.43) HSD17B10TSHRKMT2AMEN1TRPA1
SCHEMBL6252686 0.80 MMP13 (0.53) HSD17B10TSHRKMT2AMEN1TRPA1
SCHEMBL6730039 0.80 MEN1 (0.40) HSD17B10TSHRKMT2AMEN1TRPA1
SCHEMBL6724777 0.79 TSHR (0.40) HSD17B10TSHRKMT2AMEN1TRPA1
SCHEMBL6730796 0.79 MMP13 (0.49) HSD17B10TSHRKMT2AMEN1TRPA1
SCHEMBL6258669 0.79 TSHR (0.49) HSD17B10TSHRKMT2AMEN1TRPA1

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 3353/4885KMT2A 1976/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 HSD17B10 231/4885TSHR 3857/4885KMT2A 1264/4885
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 4247/4885KMT2A 1331/4885

“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.