SCHEMBL6793331

SCHEMBL6793331

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 5/20 0.42
TP53 P04637 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
GLA P06280 1/20 0.39
F2R P25116 1/20 0.39
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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 0.89 CYP17A1 (0.54) CYP17A1MEN1KMT2AMAPTCYP3A4
SCHEMBL6794120 0.86 KDM4E (0.44) CYP17A1RAB9ANPC1MEN1KMT2A
SCHEMBL6786201 0.82 TDP2 (0.48) CYP3A4
SCHEMBL8339982 0.79 PGR (0.41) MAPT
SCHEMBL6789361 0.79 MMP2 (0.41) ALDH1A1MAPTCYP3A4
SCHEMBL6791153 0.79 MMP2 (0.41) ALDH1A1MAPTCYP3A4
SCHEMBL6791227 0.79 MMP2 (0.41) ALDH1A1MAPTCYP3A4
SCHEMBL6835790 0.78 FFAR1 (0.41) F2R
SCHEMBL6792441 0.78 TDP2 (0.40) CYP17A1CYP3A4
SCHEMBL6786669 0.78 MAPT (0.41) ALDH1A1HPGDLMNAMAPTPOLB

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 CYP17A1 190/4885RAB9A 1922/4885NPC1 1342/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 CYP17A1 110/4885RAB9A 2385/4885NPC1 150/4885

“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.