SCHEMBL16459707

SCHEMBL16459707

O=C(N[CH]CC1CC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.47
MMP9 P14780 9/20 0.47
ADAMTS4 O75173 1/20 0.47
NPY5R Q15761 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP13 P45452 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 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
SCHEMBL19347782 0.96 MMP2 (0.46) MMP2MMP9ADAMTS4NPY5RALDH1A1
SCHEMBL16458533 0.88 MMP2 (0.51) MMP2MMP9ADAMTS4NPY5RALDH1A1
SCHEMBL19347775 0.88 MMP2 (0.43) MMP2MMP9ADAMTS4NPY5RALDH1A1
SCHEMBL19347783 0.85 ADAMTS4 (0.47) MMP2MMP9ADAMTS4NPY5RALDH1A1
SCHEMBL15195203 0.85 MMP2 (0.45) MMP2MMP9ADAMTS4NPY5RALDH1A1
SCHEMBL16459793 0.85 NPY5R (0.47) MMP2MMP9ADAMTS4NPY5RALDH1A1
SCHEMBL16458405 0.83 NPY5R (0.45) MMP2MMP9ADAMTS4NPY5RALDH1A1
SCHEMBL16458894 0.83 MMP2 (0.47) MMP2MMP9ADAMTS4NPY5RALDH1A1
SCHEMBL2507489 0.82 PSMB5 (0.51) MMP2MMP9ADAMTS4NPY5RALDH1A1
SCHEMBL16459055 0.81 MMP2 (0.47) MMP2MMP9ADAMTS4NPY5RALDH1A1

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 MMP2 4387/4885MMP9 3858/4885ADAMTS4 4383/4885

“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.