SCHEMBL943748

SCHEMBL943748

C[C@]1(CS(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)NC(=O)NC1=O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 12/20 0.62
MMP13 P45452 8/20 0.59
MMP12 P39900 1/20 0.59
MMP14 P50281 2/20 0.56
KCNH2 Q12809 1/20 0.56

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
SCHEMBL943747 1.00 CXCR3 (0.62) CXCR3MMP13MMP12MMP14KCNH2
SCHEMBL943411 0.83 MMP13 (0.63) MMP13MMP12MMP14KCNH2
SCHEMBL942768 0.82 MMP13 (0.62) MMP13MMP12MMP14KCNH2
SCHEMBL942644 0.82 MMP13 (0.60) MMP13MMP12MMP14KCNH2
SCHEMBL942645 0.82 MMP13 (0.60) MMP13MMP12MMP14KCNH2
SCHEMBL941612 0.81 CXCR3 (0.53) CXCR3MMP13MMP12MMP14KCNH2
SCHEMBL940467 0.81 MMP13 (0.56) MMP13MMP12MMP14KCNH2
SCHEMBL4784651 0.80 MMP13 (0.75) MMP13MMP12MMP14KCNH2
SCHEMBL942141 0.80 MMP13 (0.75) MMP13MMP12MMP14KCNH2
SCHEMBL941431 0.80 MMP13 (0.53) MMP13MMP12MMP14KCNH2

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-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-7427631-B2 especially as inhibitors of MMP12 ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
EP-1676846-A2 Hydantoin derivatives as MMP inhibitors AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040127528-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-01 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 (4 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-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 CXCR3 2067/4885MMP13 12/4885MMP12 2/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 CXCR3 2067/4885MMP13 12/4885MMP12 2/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 CXCR3 2867/4885MMP13 10/4885MMP12 5/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 CXCR3 1384/4885MMP13 19/4885MMP12 1/4885

“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.