SCHEMBL4256137

SCHEMBL4256137

COC(=O)c1cccc(-c2ncc(-c3ccc(OC)cc3)s2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.52
MMP9 P14780 3/20 0.52
CSNK2A2 P19784 2/20 0.50
CSNK2A1 P68400 2/20 0.50
HSD17B1 P14061 2/20 0.49
HSD17B2 P37059 2/20 0.49
NEK1 Q96PY6 1/20 0.48
PLAU P00749 2/20 0.48
PLAT P00750 2/20 0.48
PLG P00747 1/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47

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
SCHEMBL4257417 0.89 CSNK2A2 (0.57) MMP2MMP9CSNK2A2CSNK2A1HSD17B1
SCHEMBL7392985 0.88 MMP2 (0.57) MMP2MMP9CSNK2A2CSNK2A1HDAC3
SCHEMBL13949666 0.87 SMN1; SMN2 (0.55) MMP2MMP9CSNK2A2CSNK2A1HSD17B1
Hydrochloric Acid SCHEMBL4262809 0.86 SMN1; SMN2 (0.54) MMP2MMP9CSNK2A2CSNK2A1HSD17B1
SCHEMBL4264131 0.84 PLAU (0.52) MMP2MMP9CSNK2A2CSNK2A1PLAU
SCHEMBL1505315 0.83 HSD17B1 (0.46) MMP2MMP9HSD17B1HSD17B2NEK1
SCHEMBL1180851 0.83 HSD17B1 (0.54) MMP2MMP9HSD17B1HSD17B2CYP3A4
SCHEMBL4269140 0.82 KDM4E (0.48) MMP2MMP9CSNK2A2CSNK2A1HDAC6
SCHEMBL28968146 0.82 CDK8 (0.51) NEK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL14589072 0.81 HSD17B1 (0.48) HSD17B1HSD17B2NEK1CYP3A4CYP2C9

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 MMP2 2/4885MMP9 1/4885CSNK2A2 1664/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 MMP2 15/4885MMP9 3/4885CSNK2A2 941/4885

“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.