Sugi Predict

Sugi Predict / Compounds / SCHEMBL1108588

SCHEMBL1108588

SCHEMBL1108588

C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccn2)cc1)[C@@]1(c2ccccc2)NC(=O)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 5/20 0.48
▸ MMP1 P03956 2/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ MMP9 P14780 4/20 0.40
▸ MMP2 P08253 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MMP3 P08254 1/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ KAT2B Q92831 1/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TARS1 P26639 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL1108590 0.89 MMP9 (0.49) ADAMTS4MMP1MMP13MMP9MMP2
SCHEMBL1108579 0.88 MMP9 (0.42) ADAMTS4MMP1MMP13MMP9MMP2
SCHEMBL1108581 0.87 LIPE (0.41) ADAMTS4MMP1MMP13MMP9MMP2
SCHEMBL1108571 0.86 ADAMTS4 (0.49) ADAMTS4MMP1MMP13MMP9MMP2
SCHEMBL1108500 0.86 ADAMTS4 (0.49) ADAMTS4MMP1MMP13MMP9MMP2
SCHEMBL1108561 0.86 FFAR1 (0.46) ADAMTS4MMP1MMP13MMP9MMP2
SCHEMBL1108583 0.86 PGR (0.46) ADAMTS4MMP1MMP13MMP9MMP2
SCHEMBL1108582 0.85 FFAR1 (0.46) ADAMTS4MMP1MMP13MMP9MMP2
SCHEMBL1108556 0.85 PGR (0.46) ADAMTS4MMP1MMP13MMP9MMP2
SCHEMBL1108589 0.82 MMP9 (0.41) 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 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 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.