SCHEMBL6484523

SCHEMBL6484523

CC(C)(C)OC(=O)c1ccc(CN2C(=O)Nc3ccc(C#CCCc4ccccc4)cc3S2(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MMP13 P45452 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
SLC22A8 Q8TCC7 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
SCHEMBL6478820 0.92 MMP13 (0.45) HSD11B1MMP13GABRA1GABRG2GABRB3
SCHEMBL6448095 0.88 FFAR1 (0.44) HSD11B1FFAR1FFAR4MMP13HDAC1
SCHEMBL6476681 0.79 HSD11B1 (0.46) HSD11B1HDAC1HDAC2
SCHEMBL6477654 0.79 MMP13 (0.52) HSD11B1MMP13HDAC1HDAC2SLC22A8
SCHEMBL8359060 0.78 MMP13 (0.43) FFAR1FFAR4MMP13GABRA1GABRG2
SCHEMBL6487077 0.74 GAA (0.44) HSD11B1MMP13SLC22A8
SCHEMBL13542704 0.69 GAA (0.49) HSD11B1HDAC1HDAC2
SCHEMBL14966328 0.68 HDAC1 (0.50) FFAR1HDAC1
SCHEMBL6286878 0.67 MMP13 (0.50) FFAR1FFAR4MMP13GABRA1GABRG2
SCHEMBL5697142 0.67 MMP13 (0.58) MMP13GABRA1GABRG2GABRB3GABRA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849648-B2 Phenylene alkyne matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 US disclosed
EP-1434585-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2004-07-07 EP disclosed
US-20030144274-A1 Alkyne matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2003-07-31 US disclosed
WO-2003032999-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-04-24 WO disclosed
WO-2003032999-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-04-24 WO 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 (1 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-20030144274-A1 Alkyne matrix metalloproteinase inhibitors MMP11, MMP13, MMP3 HSD11B1 146/4885FFAR1 3696/4885FFAR4 4532/4885

“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.