SCHEMBL16459581

SCHEMBL16459581

O=C(c1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC2CC2)c1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.48
▸ TMPRSS6 Q8IU80 5/20 0.48
▸ NPY5R Q15761 1/20 0.45
▸ ST14 Q9Y5Y6 7/20 0.44
▸ F10 P00742 6/20 0.44
▸ PLG P00747 3/20 0.44
▸ PLAU P00749 3/20 0.44
▸ CTSL P07711 3/20 0.43
▸ CTSS P25774 3/20 0.43
▸ CTSK P43235 3/20 0.43
▸ CTSB P07858 2/20 0.43
▸ BCHE P06276 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL16459579 0.86 CTSL (0.43) F2TMPRSS6NPY5RST14F10
SCHEMBL12225587 0.84 PSMB5 (0.51) F2TMPRSS6NPY5RCTSLCTSS
SCHEMBL19387801 0.83 PSMB5 (0.45) F2TMPRSS6ST14F10PLG
SCHEMBL3148761 0.81 PSMB5 (0.54) F2TMPRSS6CTSLCTSSCTSK
SCHEMBL16458817 0.78 ALDH1A1 (0.47) F2TMPRSS6NPY5RBCHEUSP30
SCHEMBL16459016 0.77 NPY5R (0.50) F2NPY5RST14F10PLG
SCHEMBL16458895 0.76 ALDH1A1 (0.48) F2TMPRSS6NPY5RBCHE
SCHEMBL16458535 0.75 ALDH1A1 (0.52) F2TMPRSS6NPY5RBCHEUSP30
SCHEMBL16457747 0.73 NPY5R (0.47) F2TMPRSS6NPY5RST14F10
SCHEMBL16459056 0.72 ALDH1A1 (0.48) F2TMPRSS6NPY5RBCHEUSP30

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 F2 4784/4885TMPRSS6 1692/4885NPY5R 4010/4885

“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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