SCHEMBL6798425

SCHEMBL6798425

CC1(C(O)c2ccc(-c3ccncc3)cc2)NC(=O)NC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PDE3A Q14432 4/20 0.34
PDE5A O76074 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE1C Q14123 1/20 0.34
PDE3B Q13370 3/20 0.33
ADAM17 P78536 1/20 0.33
ROCK1 Q13464 4/20 0.33
CDK2 P24941 4/20 0.33
AKT1 P31749 3/20 0.33
ROCK2 O75116 2/20 0.33
MAP4K4 O95819 2/20 0.33
PRKACA P17612 2/20 0.33

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
SCHEMBL6789361 0.85 MMP2 (0.41) CYP3A4ALDH1A1MAPT
SCHEMBL6791153 0.85 MMP2 (0.41) CYP3A4ALDH1A1MAPT
SCHEMBL6791227 0.85 MMP2 (0.41) CYP3A4ALDH1A1MAPT
SCHEMBL8337588 0.84 FASN (0.38) ADAM17ROCK1CDK2AKT1ROCK2
SCHEMBL6790620 0.84 MMP2 (0.43) ADAM17MMP12MMP13
SCHEMBL6795148 0.84 AKR1B1 (0.35) ALDH1A1
SCHEMBL6839916 0.82 MMP13 (0.53) CYP3A4ROCK1AKT1ROCK2MAP4K4
SCHEMBL6791060 0.82 ADAM17 (0.38) CYP19A1ADAM17GSK3BMAPT
SCHEMBL6793983 0.82 MMP2 (0.45) CYP3A4MAPK1ALDH1A1LMNAMMP13
SCHEMBL6791811 0.82 TYR (0.38) MMP13

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 190/4885CYP3A4 600/4885CYP19A1 192/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 CYP17A1 110/4885CYP3A4 427/4885CYP19A1 230/4885

“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.