SCHEMBL6793038

SCHEMBL6793038

CC1(C(O)c2ccc(-c3ccc(C#N)cc3)cc2)NC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD11B1 P28845 1/20 0.38
MMP3 P08254 5/20 0.37
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
MMP2 P08253 6/20 0.35
MMP1 P03956 3/20 0.35
SCN10A Q9Y5Y9 1/20 0.34
KIF11 P52732 1/20 0.34
MMP13 P45452 2/20 0.34
MMP12 P39900 1/20 0.34
CREBBP Q92793 1/20 0.34
MMP9 P14780 2/20 0.34

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
SCHEMBL6794482 0.88 PGR (0.49) GRIA2GRIA4MMP2MMP13MMP12
SCHEMBL6791153 0.83 MMP2 (0.41) ALDH1A1MMP3MMP2MMP9
SCHEMBL6789361 0.83 MMP2 (0.41) ALDH1A1MMP3MMP2MMP9
SCHEMBL6791227 0.83 MMP2 (0.41) ALDH1A1MMP3MMP2MMP9
SCHEMBL6919077 0.83 S1PR3 (0.34) PGR
SCHEMBL6795148 0.82 AKR1B1 (0.35) ALDH1A1HSD11B1
SCHEMBL6790620 0.82 MMP2 (0.43) HSD11B1MMP3MMP2MMP13MMP12
SCHEMBL6798425 0.81 CYP17A1 (0.37) ALDH1A1MAPK1MMP13MMP12
SCHEMBL6793983 0.80 MMP2 (0.45) ALDH1A1MAPK1SMN1; SMN2MMP2MMP13
SCHEMBL6791811 0.80 TYR (0.38) MMP3GRIA4MMP2MMP1MMP13

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 ALDH1A1 294/4885HPGD 160/4885KDM4E 2088/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 ALDH1A1 1250/4885HPGD 335/4885KDM4E 2227/4885

“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.