SCHEMBL6908252

SCHEMBL6908252

Cn1c(=O)n(CC2CCCO2)c(=O)c2cc(C(=O)OCc3ccccc3)sc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
ADORA2B P29275 1/20 0.47
ALDH1A1 P00352 6/20 0.47
TSHR P16473 5/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6259638 0.90 HSD17B10 (0.42) CYP3A4CYP2C9ADORA2BALDH1A1TSHR
SCHEMBL6254402 0.87 GPBAR1 (0.41) ADORA2BALDH1A1TSHRHSD17B10MEN1
SCHEMBL6727947 0.86 MAPK8 (0.41) CYP3A4ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL6727774 0.86 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1HSD17B10MEN1
SCHEMBL6736298 0.84 ICAM1 (0.38) ADORA2BALDH1A1TSHRHSD17B10MEN1
SCHEMBL6727817 0.83 ALDH1A1 (0.45) ALDH1A1MAPK1HSD17B10KMT2AKDM4E
SCHEMBL6252686 0.82 MMP13 (0.53) ADORA2BALDH1A1TSHRHSD17B10MEN1
SCHEMBL6258180 0.82 MAPT (0.46) ADORA2BALDH1A1TSHRHSD17B10KDM4E
SCHEMBL6733514 0.82 MMP13 (0.45) CYP1A2CYP3A4ADORA2BALDH1A1TSHR
SCHEMBL6257988 0.82 MMP13 (0.45) CYP3A4ADORA2BALDH1A1TSHRMAPK1

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 5 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-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
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO 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 (2 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 CYP1A2 1273/4885CYP3A4 2508/4885CYP2C8 1652/4885
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 CYP1A2 252/4885CYP3A4 266/4885CYP2C8 565/4885

“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.