SCHEMBL1108581

SCHEMBL1108581

C[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(Cl)cn2)cc1)[C@@]1(c2ccccc2)NC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.41
POLB P06746 1/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
MMP9 P14780 3/20 0.36
ADAMTS4 O75173 3/20 0.36
PGR P06401 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
MMP2 P08253 3/20 0.36
MMP1 P03956 2/20 0.36
MMP13 P45452 2/20 0.36
MMP14 P50281 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 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
SCHEMBL1108556 0.90 PGR (0.46) MMP9ADAMTS4PGRMMP2MMP1
SCHEMBL1108588 0.87 ADAMTS4 (0.48) POLBPTGS2MMP9ADAMTS4MMP2
SCHEMBL1108590 0.85 MMP9 (0.49) POLBMMP9ADAMTS4PGRMMP2
SCHEMBL1108546 0.85 PTGS1 (0.41) LIPEPTGS1PTGS2ADAMTS4MMP2
SCHEMBL1108576 0.85 PTGS1 (0.41) LIPEPTGS1PTGS2ADAMTS4MMP2
SCHEMBL1108579 0.83 MMP9 (0.42) POLBMMP9ADAMTS4PGRMMP2
SCHEMBL1108583 0.83 PGR (0.46) POLBMMP9ADAMTS4PGRMMP2
SCHEMBL1108561 0.83 FFAR1 (0.46) MMP9ADAMTS4MMP2MMP1MMP13
SCHEMBL1108582 0.82 FFAR1 (0.46) MMP9ADAMTS4PGRBCL2L1MCL1
SCHEMBL1108589 0.79 MMP9 (0.41) MMP9ADAMTS4PGRMMP2MMP1

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 8 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-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 LIPE 4387/4885POLB 1244/4885PTGS1 124/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 LIPE 4387/4885POLB 1244/4885PTGS1 124/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 LIPE 3793/4885POLB 1317/4885PTGS1 167/4885

“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.