SCHEMBL1108544

SCHEMBL1108544

CN(C[C@@H]1NC(=O)NC1=O)S(=O)(=O)c1ccc(Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.43
CACNA1B Q00975 2/20 0.43
NR3C1 P04150 3/20 0.43
PGR P06401 1/20 0.43
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP19A1 P11511 2/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MMP14 P50281 2/20 0.38
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
HSD11B1 P28845 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
SCHEMBL1099733 1.00 CACNA1H (0.43) CACNA1HCACNA1BNR3C1PGRLMNA
SCHEMBL1099181 0.86 LMNA (0.42) NR3C1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL1100371 0.86 PGR (0.44) NR3C1PGRLMNAHTTSMN1; SMN2
SCHEMBL1108549 0.86 PGR (0.44) NR3C1PGRLMNAHTTSMN1; SMN2
SCHEMBL1108464 0.86 LMNA (0.42) NR3C1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL1108503 0.86 PGR (0.46) NR3C1PGRLMNAHTTSMN1; SMN2
SCHEMBL1098732 0.86 PGR (0.46) NR3C1PGRLMNAHTTSMN1; SMN2
SCHEMBL1100932 0.85 FFAR1 (0.45) CACNA1HCACNA1BNR3C1LMNAHTT
SCHEMBL1108535 0.85 FFAR1 (0.45) CACNA1HCACNA1BNR3C1LMNAHTT
SCHEMBL1101042 0.84 LMNA (0.40) PGRLMNAHTTSMN1; SMN2ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 US disclosed
US-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 US disclosed
US-20100273849-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-20100273849-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 US disclosed
US-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 US disclosed
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 US 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 (3 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-20100273849-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 CACNA1H 3202/4885CACNA1B 1985/4885NR3C1 3050/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 CACNA1H 3202/4885CACNA1B 1985/4885NR3C1 3050/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 CACNA1H 3257/4885CACNA1B 1630/4885NR3C1 3581/4885

“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.