SCHEMBL1108571

SCHEMBL1108571

C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccn2)cc1)[C@]1(C)NC(=O)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 5/20 0.49
MMP1 P03956 2/20 0.42
MMP13 P45452 2/20 0.42
MMP9 P14780 3/20 0.41
MMP2 P08253 2/20 0.41
PTGS2 P35354 1/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.37
ADAM17 P78536 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
GRM2 Q14416 1/20 0.35
KAT2B Q92831 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL1108500 1.00 ADAMTS4 (0.49) ADAMTS4MMP1MMP13MMP9MMP2
SCHEMBL1108588 0.86 ADAMTS4 (0.48) ADAMTS4MMP1MMP13MMP9MMP2
SCHEMBL1108586 0.86 MMP9 (0.51) ADAMTS4MMP1MMP13MMP9MMP2
SCHEMBL1108501 0.86 MMP9 (0.51) ADAMTS4MMP1MMP13MMP9MMP2
SCHEMBL1108576 0.84 PTGS1 (0.41) ADAMTS4MMP13MMP2PTGS2MMP3
SCHEMBL1108546 0.84 PTGS1 (0.41) ADAMTS4MMP13MMP2PTGS2MMP3
SCHEMBL1108494 0.84 MMP1 (0.40) ADAMTS4MMP1MMP13MMP9MMP2
SCHEMBL1108502 0.84 MMP1 (0.40) ADAMTS4MMP1MMP13MMP9MMP2
SCHEMBL1108577 0.82 MMP2 (0.44) ADAMTS4MMP1MMP13MMP9MMP2
SCHEMBL1108557 0.82 FFAR1 (0.42) ADAMTS4MMP1MMP13MMP9MMP2

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 ADAMTS4 35/4885MMP1 8/4885MMP13 6/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 ADAMTS4 35/4885MMP1 8/4885MMP13 6/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 ADAMTS4 30/4885MMP1 11/4885MMP13 7/4885

“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.