SCHEMBL4266261

SCHEMBL4266261

CS(=O)(=O)c1ccc(Cn2nnc(-c3ccnc(C(=O)O)c3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.56
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.50
HDAC6 Q9UBN7 2/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4264266 0.82 MMP13 (0.63) MMP13TP53
SCHEMBL4269083 0.81 MMP13 (0.79) MMP13RAB9AHDAC6TP53
SCHEMBL4266216 0.81 MMP13 (0.57) MMP13NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4262530 0.81 MMP13 (0.68) MMP13HDAC6TP53
SCHEMBL4262313 0.78 MMP13 (0.59) MMP13TP53
SCHEMBL4262311 0.78 MMP13 (0.46) MMP13SMN1; SMN2HDAC6ALDH1A1KDM4E
SCHEMBL14589084 0.72 SMN1; SMN2 (0.48) MMP13NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4256083 0.71 MMP13 (1.00) MMP13HDAC6
SCHEMBL4266291 0.70 MMP13 (1.00) MMP13HDAC6
SCHEMBL20790368 0.69 KDM4E (0.53) SMN1; SMN2LMNAALDH1A1KDM4E

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 7 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
CN-100379415-C Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2008-04-09 CN disclosed
US-7179822-B2 Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-02-20 US disclosed
CN-1674892-A Hetero biaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2005-09-28 CN 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 MMP13 8/4885NPC1 1536/4885RAB9A 919/4885
US-20040048863-A1 Hetero biaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 MMP13 1/4885NPC1 1391/4885RAB9A 413/4885

“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.