SCHEMBL6800602

SCHEMBL6800602

O=C1NC(=O)C(C(O)c2ccc(-c3ccc(F)cc3)cc2)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
HSD17B2 P37059 1/20 0.39
ABL1 P00519 1/20 0.36
MMP1 P03956 2/20 0.35
MMP13 P45452 2/20 0.35
GSK3B P49841 1/20 0.34
BACE1 P56817 1/20 0.34
PTGER3 P43115 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.33
GAA P10253 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
RPS6KB1 P23443 1/20 0.32
FFAR1 O14842 1/20 0.32
EPHX1 P07099 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6798968 0.86 HSD17B2 (0.40) HSD17B2GAAALDH1A1FFAR1EPHX1
SCHEMBL6798684 0.86 HSD17B2 (0.40) HSD17B2GAAALDH1A1FFAR1EPHX1
SCHEMBL6791191 0.86 MMP2 (0.35) TDP1HSD17B2ADAMTS5GAAALDH1A1
SCHEMBL6786610 0.86 HSD17B2 (0.40) HSD17B2GAAALDH1A1FFAR1EPHX1
SCHEMBL6793693 0.81 LMNA (0.42) HSD17B2GAAALDH1A1FFAR1
SCHEMBL6703699 0.80 BACE1 (0.32) TDP1BACE1TSHR
SCHEMBL10620249 0.79 ALDH1A1 (0.41) HSD17B2GAAALDH1A1EPHX1MAPT
SCHEMBL6702161 0.79 CES2 (0.41) HSD17B2ADAMTS5FFAR1TSHR
SCHEMBL6791466 0.76 PTPRC (0.41) HSD17B2POLBALDH1A1MAPT
SCHEMBL6701806 0.75 PRMT5 (0.35) TDP1PTGER3ADAMTS5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040110809-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-10 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370538-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074752-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 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-20040110809-A1 Metalloproteinase inhibitors MMP9, MMP2, MMP3 TDP1 1558/4885HSD17B2 437/4885ABL1 3129/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 TDP1 3812/4885HSD17B2 82/4885ABL1 3440/4885

“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.