SCHEMBL4264131

SCHEMBL4264131

COC(=O)c1ccc(CC(=O)NNC(=O)c2cccc(-c3ncc(-c4ccc(OC)cc4)s3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.52
ELANE P08246 1/20 0.52
CYP3A4 P08684 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 4/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
GAA P10253 2/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
CSNK2A2 P19784 2/20 0.44
CSNK2A1 P68400 2/20 0.44

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
SCHEMBL4256137 0.84 MMP2 (0.52) PLAUCYP3A4SMN1; SMN2POLBKMT2A
SCHEMBL4256560 0.83 PLAU (0.49) PLAUELANECYP3A4SMN1; SMN2ALDH1A1
SCHEMBL7392985 0.83 MMP2 (0.57) SMN1; SMN2ALDH1A1MAPTPOLBKMT2A
SCHEMBL13949666 0.81 SMN1; SMN2 (0.55) CYP3A4SMN1; SMN2ALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL4262809 0.80 SMN1; SMN2 (0.54) CYP3A4SMN1; SMN2ALDH1A1MAPK1POLB
SCHEMBL4269140 0.80 KDM4E (0.48) ALDH1A1TP53MAPTPOLBKMT2A
SCHEMBL4256185 0.79 MAPK1 (0.45) CYP3A4SMN1; SMN2ALDH1A1MAPK1POLB
SCHEMBL4257417 0.76 CSNK2A2 (0.57) CYP3A4SMN1; SMN2ALDH1A1TP53KMT2A
SCHEMBL7394802 0.75 CA1 (0.56) CYP3A4SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL14589072 0.74 HSD17B1 (0.48) CYP3A4SMN1; SMN2ALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2009-01-29 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
EP-1536784-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-08 EP disclosed
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2004-03-11 US disclosed
WO-2004014366-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (2 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-20090029995-A1 HETERO BIARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP2, MMP3 PLAU 49/4885ELANE 132/4885CYP3A4 604/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 PLAU 238/4885ELANE 706/4885CYP3A4 656/4885

“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.