SCHEMBL16458405

SCHEMBL16458405

O=C(N[CH]CC1CC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Oc2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.45
MMP2 P08253 11/20 0.43
MMP9 P14780 9/20 0.43
ADAMTS4 O75173 2/20 0.42
F2 P00734 3/20 0.41
F10 P00742 2/20 0.41
PLG P00747 2/20 0.41
PLAU P00749 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.39
POLB P06746 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP13 P45452 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
SCHEMBL16458406 0.87 NPY5R (0.49) NPY5RMMP2MMP9ADAMTS4F2
SCHEMBL16458682 0.87 ALDH1A1 (0.47) NPY5RMMP2MMP9ADAMTS4F2
SCHEMBL12225850 0.84 NPY5R (0.43) NPY5RMMP2MMP9ADAMTS4F2
SCHEMBL16459707 0.83 MMP2 (0.47) NPY5RMMP2MMP9ADAMTS4F2
SCHEMBL16459793 0.82 NPY5R (0.47) NPY5RMMP2MMP9ADAMTS4F2
SCHEMBL19347782 0.80 MMP2 (0.46) NPY5RMMP2MMP9ADAMTS4F2
SCHEMBL19347775 0.79 MMP2 (0.43) NPY5RMMP2MMP9ADAMTS4F2
SCHEMBL19347783 0.76 ADAMTS4 (0.47) NPY5RMMP2MMP9ADAMTS4F2
SCHEMBL16460255 0.74 MMP2 (0.50) NPY5RMMP2MMP9ADAMTS4F2
SCHEMBL16458533 0.73 MMP2 (0.51) NPY5RMMP2MMP9ADAMTS4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140011998-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-09 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-20140011998-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 NPY5R 4010/4885MMP2 4387/4885MMP9 3858/4885

“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.