SCHEMBL13640657

SCHEMBL13640657

C=C(F)C[C@H](C(=O)O)N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCC)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 11/20 0.62
MMP2 P08253 9/20 0.62
MMP8 P22894 5/20 0.60
MMP13 P45452 5/20 0.54
PTPN1 P18031 2/20 0.51
TAS2R14 Q9NYV8 2/20 0.48
ADAM17 P78536 1/20 0.46
CNR2 P34972 1/20 0.46
HTT P42858 1/20 0.43
BMP1 P13497 1/20 0.43

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
SCHEMBL13640662 1.00 MMP9 (0.62) MMP9MMP2MMP8MMP13PTPN1
SCHEMBL13640694 0.94 MMP9 (0.56) MMP9MMP2MMP8MMP13PTPN1
SCHEMBL16330736 0.91 MMP9 (0.65) MMP9MMP2MMP8MMP13PTPN1
SCHEMBL13639206 0.91 MMP9 (0.70) MMP9MMP2MMP8MMP13PTPN1
SCHEMBL13639260 0.91 MMP9 (0.70) MMP9MMP2MMP8MMP13PTPN1
SCHEMBL13570809 0.91 MMP9 (0.70) MMP9MMP2MMP8MMP13PTPN1
SCHEMBL13639204 0.90 MMP9 (0.60) MMP9MMP2MMP8MMP13PTPN1
SCHEMBL13639202 0.90 MMP9 (0.60) MMP9MMP2MMP8MMP13PTPN1
SCHEMBL13570906 0.90 MMP9 (0.60) MMP9MMP2MMP8MMP13PTPN1
SCHEMBL13640663 0.90 MMP9 (0.52) MMP9MMP2MMP8MMP13PTPN1

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-20120282180-A1 Compounds with Matrix-Metalloproteinase Inhibitory Activity and Imaging Agents Thereof SIEMENS MEDICAL SOLUTIONS USA, INC. 2012-11-08 US disclosed
US-20120282180-A1 Compounds with Matrix-Metalloproteinase Inhibitory Activity and Imaging Agents Thereof SIEMENS MEDICAL SOLUTIONS USA, INC. 2012-11-08 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-20120282180-A1 Compounds with Matrix-Metalloproteinase Inhibitory Activity and Imaging Agents Thereof MMP1, MMP17, MMP25 MMP9 4/4885MMP2 16/4885MMP8 18/4885

“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.