SCHEMBL16458816

SCHEMBL16458816

O=C(N[CH]CC1CC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Nc2ccccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 9/20 0.46
▸ MMP9 P14780 8/20 0.46
▸ ADAMTS4 O75173 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ USP30 Q70CQ3 3/20 0.43
▸ NPY5R Q15761 1/20 0.43
▸ ADAMTS5 Q9UNA0 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42

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
SCHEMBL16458533 0.88 MMP2 (0.51) MMP2MMP9ADAMTS4ALDH1A1MAPT
SCHEMBL16458817 0.86 ALDH1A1 (0.47) MMP2MMP9ADAMTS4ALDH1A1MAPT
SCHEMBL16459055 0.85 MMP2 (0.47) MMP2MMP9ADAMTS4ALDH1A1MAPT
SCHEMBL12225740 0.83 PSMB5 (0.49) MMP2MMP9ADAMTS4ALDH1A1MAPT
SCHEMBL19347783 0.80 ADAMTS4 (0.47) MMP2MMP9ADAMTS4ALDH1A1MAPT
SCHEMBL16459707 0.80 MMP2 (0.47) MMP2MMP9ADAMTS4ALDH1A1MAPT
SCHEMBL16458894 0.79 MMP2 (0.47) MMP2MMP9ADAMTS4ALDH1A1MAPT
SCHEMBL16459579 0.78 CTSL (0.43) MMP2MMP9ADAMTS4USP30NPY5R
SCHEMBL19347782 0.77 MMP2 (0.46) MMP2MMP9ADAMTS4ALDH1A1MAPT
SCHEMBL16457746 0.77 MMP2 (0.44) MMP2MMP9ADAMTS4ALDH1A1MAPT

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.

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