SCHEMBL16459579

SCHEMBL16459579

O=C(c1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N[CH]CC2CC2)c1)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.43
▸ CTSS P25774 4/20 0.43
▸ CTSK P43235 4/20 0.43
▸ CTSB P07858 3/20 0.43
▸ F2 P00734 4/20 0.42
▸ TMPRSS6 Q8IU80 2/20 0.42
▸ NPY5R Q15761 1/20 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
▸ POLB P06746 1/20 0.41
▸ ITGB3 P05106 2/20 0.40
▸ ITGAV P06756 2/20 0.40
▸ ITGA2B P08514 2/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ MMP2 P08253 5/20 0.40
▸ MMP9 P14780 5/20 0.40
▸ ADAMTS4 O75173 1/20 0.39
▸ ITGB1 P05556 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
SCHEMBL16459581 0.86 F2 (0.48) CTSLCTSSCTSKCTSBF2
SCHEMBL12225587 0.84 PSMB5 (0.51) CTSLCTSSCTSKCTSBF2
SCHEMBL3148761 0.81 PSMB5 (0.54) CTSLCTSSCTSKCTSBF2
SCHEMBL19387801 0.80 PSMB5 (0.45) CTSLCTSSCTSKCTSBF2
SCHEMBL16458816 0.78 MMP2 (0.46) CTSLCTSSCTSKCTSBNPY5R
SCHEMBL16458831 0.77 ALDH1A1 (0.47) CTSLCTSSCTSKCTSBNPY5R
SCHEMBL16458946 0.76 NPY5R (0.43) F2NPY5RPOLBITGB3ITGAV
SCHEMBL16458894 0.76 MMP2 (0.47) CTSLCTSSCTSKCTSBNPY5R
SCHEMBL16458533 0.75 MMP2 (0.51) CTSLCTSSCTSKCTSBNPY5R
SCHEMBL19347783 0.75 ADAMTS4 (0.47) CTSLCTSSCTSKCTSBF2

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 CTSL 3135/4885CTSS 1072/4885CTSK 1056/4885

“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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