Sugi Predict

Sugi Predict / Compounds / SCHEMBL1108579

SCHEMBL1108579

SCHEMBL1108579

C[C@@H](NS(=O)(=O)c1ccc(Oc2ccncc2)cc1)[C@@]1(c2ccccc2)NC(=O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 5/20 0.42
▸ MMP13 P45452 5/20 0.40
▸ ADAMTS4 O75173 4/20 0.40
▸ MMP2 P08253 3/20 0.40
▸ MMP1 P03956 3/20 0.40
▸ MMP3 P08254 2/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ TARS1 P26639 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MMP8 P22894 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ ALDH1A1 P00352 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 0.93 MMP9 (0.49) MMP9MMP13ADAMTS4MMP2MMP1
SCHEMBL1108583 0.90 PGR (0.46) MMP9MMP13ADAMTS4MMP2MMP1
SCHEMBL1108561 0.90 FFAR1 (0.46) MMP9MMP13ADAMTS4MMP2MMP1
SCHEMBL1108582 0.89 FFAR1 (0.46) MMP9MMP13ADAMTS4MMP2MMP1
SCHEMBL1108556 0.89 PGR (0.46) MMP9MMP13ADAMTS4MMP2MMP1
SCHEMBL1108558 0.88 MMP9 (0.41) MMP9MMP13ADAMTS4MMP2MMP1
SCHEMBL1108588 0.88 ADAMTS4 (0.48) MMP9MMP13ADAMTS4MMP2MMP1
SCHEMBL1108589 0.86 MMP9 (0.41) MMP9MMP13ADAMTS4MMP2MMP1
SCHEMBL1108581 0.83 LIPE (0.41) MMP9MMP13ADAMTS4MMP2MMP1
SCHEMBL1108502 0.82 MMP1 (0.40) MMP9MMP13ADAMTS4MMP2MMP1

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 MMP9 1/4885MMP13 6/4885ADAMTS4 35/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 MMP9 1/4885MMP13 6/4885ADAMTS4 35/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 MMP9 1/4885MMP13 7/4885ADAMTS4 30/4885

“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.