SCHEMBL6786201

SCHEMBL6786201

CC1(C(O)c2ccc(-c3cccc(NS(C)(=O)=O)c3)cc2)NC(=O)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.48
BRD4 O60885 6/20 0.47
KIF11 P52732 1/20 0.46
KDM1A O60341 1/20 0.43
ABL1 P00519 2/20 0.41
PIP4K2A P48426 1/20 0.40
PIP4K2B P78356 1/20 0.40
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
GRIA2 P42262 1/20 0.40
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL6791144 0.83 CYP17A1 (0.54) PIP4K2APIP4K2BHSD17B1HSD17B2CYP3A4
SCHEMBL6793331 0.82 CYP17A1 (0.43) CYP3A4
SCHEMBL6794120 0.81 KDM4E (0.44) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8339982 0.80 PGR (0.41) HSD17B1HSD17B2
SCHEMBL6791227 0.80 MMP2 (0.41) CYP3A4CYP2D6CYP2C9
SCHEMBL6791153 0.80 MMP2 (0.41) CYP3A4CYP2D6CYP2C9
SCHEMBL6789361 0.80 MMP2 (0.41) CYP3A4CYP2D6CYP2C9
SCHEMBL6835790 0.79 FFAR1 (0.41)
SCHEMBL6792441 0.79 TDP2 (0.40) TDP2BRD4CYP3A4
SCHEMBL6792382 0.77 PGR (0.48) BRD4ABL1

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 TDP2 2225/4885BRD4 1009/4885KIF11 1949/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 TDP2 3806/4885BRD4 1467/4885KIF11 4395/4885

“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.