SCHEMBL5097147

SCHEMBL5097147

C[C@]1(CS(=O)(=O)N2CC=C(C#Cc3ccc(F)nc3)CC2)NC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.44
MMP12 P39900 2/20 0.43
MMP14 P50281 13/20 0.42

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
Trifluoroacetic Acid SCHEMBL5096652 0.94 MMP13 (0.41) MMP13MMP12MMP14
SCHEMBL5097080 0.89 MMP13 (0.46) MMP13MMP12MMP14
SCHEMBL5249501 0.89 MMP13 (0.46) MMP13MMP12MMP14
SCHEMBL5090731 0.89 MMP13 (0.44) MMP13MMP12MMP14
SCHEMBL5103259 0.89 MMP13 (0.48) MMP13MMP12MMP14
SCHEMBL5103261 0.89 MMP13 (0.48) MMP13MMP12MMP14
SCHEMBL5253683 0.88 MMP13 (0.44) MMP13MMP12MMP14
SCHEMBL5103016 0.88 MMP13 (0.44) MMP13MMP12MMP14
SCHEMBL5241113 0.87 MMP13 (0.43) MMP13MMP12MMP14
SCHEMBL2289321 0.87 MMP13 (0.43) MMP13MMP12MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004317-A1 Compounds ASTRAZENECA AB (SE) 2008-01-03 US claimed
US-20080004317-A1 Compounds ASTRAZENECA AB (SE) 2008-01-03 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 (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-20080004317-A1 Compounds CYP1A2, CYP2D6, F12 MMP13 4291/4885MMP12 4485/4885MMP14 4794/4885

“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.