SCHEMBL6791144

SCHEMBL6791144

CC(=O)Nc1cccc(-c2ccc(C(O)C3(C)NC(=O)NC3=O)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 9/20 0.54
CYP3A4 P08684 2/20 0.44
DHODH Q02127 2/20 0.44
PARP1 P09874 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CRBN Q96SW2 2/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
DDB1 Q16531 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADAMTS4 O75173 1/20 0.42
PIP4K2A P48426 1/20 0.41
PIP4K2B P78356 1/20 0.41
NQO2 P16083 1/20 0.41
MAPT P10636 1/20 0.40
CHEK1 O14757 1/20 0.40
FGFR1 P11362 1/20 0.40
NEK2 P51955 1/20 0.40

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
SCHEMBL6793331 0.89 CYP17A1 (0.43) CYP17A1CYP3A4MEN1KMT2AMAPT
SCHEMBL6790247 0.88 SMN1; SMN2 (0.49) CYP17A1CYP3A4DHODHPARP1CRBN
SCHEMBL6794120 0.88 KDM4E (0.44) CYP17A1CYP3A4MEN1KMT2AMAPT
SCHEMBL6786201 0.83 TDP2 (0.48) CYP3A4HSD17B1HSD17B2PIP4K2APIP4K2B
SCHEMBL8339982 0.81 PGR (0.41) DHODHHSD17B1HSD17B2MAPT
SCHEMBL6791153 0.80 MMP2 (0.41) CYP3A4MAPT
SCHEMBL6789361 0.80 MMP2 (0.41) CYP3A4MAPT
SCHEMBL6791227 0.80 MMP2 (0.41) CYP3A4MAPT
SCHEMBL6835790 0.80 FFAR1 (0.41) DHODH
SCHEMBL6792441 0.80 TDP2 (0.40) CYP17A1CYP3A4DHODHPARP1CYP11B1

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-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-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

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 CYP17A1 190/4885CYP3A4 600/4885DHODH 1270/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 CYP17A1 110/4885CYP3A4 427/4885DHODH 1457/4885

“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.