SCHEMBL309348

SCHEMBL309348

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.45
MMP9 P14780 7/20 0.45
MMP13 P45452 6/20 0.45
HSD11B1 P28845 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP3 P08254 5/20 0.41
MMP7 P09237 5/20 0.41
EPHX2 P34913 3/20 0.40
LIPE Q05469 1/20 0.40
EPHX1 P07099 1/20 0.40
AKR1C3 P42330 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
DPP4 P27487 1/20 0.39

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
SCHEMBL308001 1.00 MMP1 (0.45) MMP1MMP9MMP13HSD11B1MEN1
SCHEMBL309056 0.86 BRD4 (0.47) HSD11B1CA1CA2CA4CA9
SCHEMBL309796 0.86 BRD4 (0.47) HSD11B1CA1CA2CA4CA9
SCHEMBL3696020 0.84 HSD11B1 (0.58) MMP1MMP9MMP13HSD11B1MEN1
SCHEMBL3704136 0.84 HSD11B1 (0.58) MMP1MMP9MMP13HSD11B1MEN1
SCHEMBL2690125 0.76 MMP1 (0.58) MMP1MMP9MMP13HSD11B1MEN1
SCHEMBL2690128 0.76 MMP1 (0.58) MMP1MMP9MMP13HSD11B1MEN1
SCHEMBL2441138 0.75 MMP1 (0.63) MMP1MMP9MMP13HSD11B1MMP3
SCHEMBL308000 0.74 MMP1 (0.58) MMP1MMP9MMP13HSD11B1MEN1
SCHEMBL309347 0.74 MMP1 (0.58) MMP1MMP9MMP13HSD11B1MEN1

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 4777/4885MMP13 4632/4885

“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.