SCHEMBL1108546

SCHEMBL1108546

C[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)[C@]1(C)NC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
SCN9A Q15858 3/20 0.37
FPR2 P25090 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LIPE Q05469 1/20 0.35
ADAMTS4 O75173 2/20 0.35
MMP13 P45452 4/20 0.34
P2RX3 P56373 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP12 P39900 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 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
SCHEMBL1108576 1.00 PTGS1 (0.41) PTGS1PTGS2SCN9AFPR2ALDH1A1
SCHEMBL1108564 0.88 PGR (0.41) PTGS1PTGS2SMN1; SMN2ADAMTS4MMP13
SCHEMBL1108545 0.88 PGR (0.41) PTGS1PTGS2SMN1; SMN2ADAMTS4MMP13
SCHEMBL1108581 0.85 LIPE (0.41) PTGS1PTGS2SCN9AFPR2ALDH1A1
SCHEMBL1108571 0.84 ADAMTS4 (0.49) PTGS2ALDH1A1SMN1; SMN2ADAMTS4MMP13
SCHEMBL1108500 0.84 ADAMTS4 (0.49) PTGS2ALDH1A1SMN1; SMN2ADAMTS4MMP13
SCHEMBL1108502 0.80 MMP1 (0.40) PTGS2ALDH1A1SMN1; SMN2ADAMTS4MMP13
SCHEMBL1108494 0.80 MMP1 (0.40) PTGS2ALDH1A1SMN1; SMN2ADAMTS4MMP13
SCHEMBL1108577 0.80 MMP2 (0.44) ALDH1A1SMN1; SMN2ADAMTS4MMP13MMP2
SCHEMBL1108557 0.80 FFAR1 (0.42) PTGS2ALDH1A1SMN1; SMN2ADAMTS4MMP13

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 13 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
EP-1370537-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2010-10-13 EP 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 PTGS1 124/4885PTGS2 235/4885SCN9A 1059/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 PTGS1 124/4885PTGS2 235/4885SCN9A 1059/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 PTGS1 167/4885PTGS2 188/4885SCN9A 1594/4885

“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.