SCHEMBL1108488

SCHEMBL1108488

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.44
MMP9 P14780 6/20 0.44
CACNA1H O95180 2/20 0.42
CACNA1B Q00975 2/20 0.42
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
MMP14 P50281 4/20 0.38
ADAMTS5 Q9UNA0 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1099158 1.00 MMP2 (0.44) MMP2MMP9CACNA1HCACNA1BLMNA
SCHEMBL1108535 0.88 FFAR1 (0.45) MMP2MMP9CACNA1HCACNA1BLMNA
SCHEMBL1100932 0.88 FFAR1 (0.45) MMP2MMP9CACNA1HCACNA1BLMNA
SCHEMBL1100330 0.87 MMP2 (0.41) MMP2MMP9CACNA1HCACNA1BLMNA
SCHEMBL1100232 0.87 HTT (0.49) MMP2MMP9CACNA1HCACNA1BLMNA
SCHEMBL1108491 0.87 HTT (0.49) MMP2MMP9CACNA1HCACNA1BLMNA
SCHEMBL1108493 0.87 MMP2 (0.41) MMP2MMP9CACNA1HCACNA1BLMNA
SCHEMBL1101042 0.87 LMNA (0.40) MMP2MMP9LMNAHTTSMN1; SMN2
SCHEMBL1108565 0.87 LMNA (0.40) MMP2MMP9LMNAHTTSMN1; SMN2
SCHEMBL1108503 0.86 PGR (0.46) MMP2MMP9LMNAHTTSMN1; SMN2

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 10 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-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 MMP2 9/4885MMP9 1/4885CACNA1H 3202/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 MMP2 9/4885MMP9 1/4885CACNA1H 3202/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 MMP2 8/4885MMP9 1/4885CACNA1H 3257/4885

“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.