SCHEMBL308000

SCHEMBL308000

C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.58
MMP9 P14780 3/20 0.58
MMP3 P08254 1/20 0.58
MMP7 P09237 1/20 0.58
HSD11B1 P28845 2/20 0.54
MMP13 P45452 4/20 0.52
LIPE Q05469 1/20 0.48
ABHD6 Q9BV23 2/20 0.47
GPR119 Q8TDV5 6/20 0.46
ADAM17 P78536 2/20 0.46
DAGLA Q9Y4D2 1/20 0.45
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL309347 1.00 MMP1 (0.58) MMP1MMP9MMP3MMP7HSD11B1
SCHEMBL2441138 0.88 MMP1 (0.63) MMP1MMP9MMP3MMP7HSD11B1
SCHEMBL309055 0.87 MMP1 (0.55) MMP1MMP9MMP3MMP7HSD11B1
SCHEMBL309795 0.87 MMP1 (0.55) MMP1MMP9MMP3MMP7HSD11B1
SCHEMBL3704136 0.87 HSD11B1 (0.58) MMP1MMP9MMP3MMP7HSD11B1
SCHEMBL3696020 0.87 HSD11B1 (0.58) MMP1MMP9MMP3MMP7HSD11B1
SCHEMBL1947519 0.84 MMP1 (0.57) MMP1MMP9MMP3MMP7HSD11B1
SCHEMBL7889219 0.84 MMP1 (0.57) MMP1MMP9MMP3MMP7HSD11B1
SCHEMBL27727372 0.84 MMP1 (0.56) MMP1MMP9MMP3MMP7HSD11B1
SCHEMBL763825 0.84 HSD11B1 (0.60) MMP1MMP9MMP3MMP7HSD11B1

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-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 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-20100016330-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D MMP1 4589/4885MMP9 4777/4885MMP3 4534/4885

“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.