SCHEMBL16457747

SCHEMBL16457747

O=C(NCCC1CC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([S+]([O-])c2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MMP2 P08253 9/20 0.44
▸ MMP9 P14780 6/20 0.44
▸ ADAMTS4 O75173 1/20 0.44
▸ BCHE P06276 1/20 0.42
▸ F2 P00734 3/20 0.42
▸ TMPRSS6 Q8IU80 2/20 0.42
▸ F10 P00742 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ ST14 Q9Y5Y6 1/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP7 P09237 1/20 0.41
▸ MMP13 P45452 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
SCHEMBL16457746 0.86 MMP2 (0.44) NPY5RALDH1A1MAPTMMP2MMP9
SCHEMBL16458895 0.86 ALDH1A1 (0.48) NPY5RALDH1A1MAPTMMP2MMP9
SCHEMBL16459056 0.84 ALDH1A1 (0.48) NPY5RALDH1A1MAPTMMP2MMP9
SCHEMBL12226693 0.84 PSMB5 (0.51) NPY5RMMP2MMP9ADAMTS4F2
SCHEMBL16458535 0.81 ALDH1A1 (0.52) NPY5RALDH1A1MAPTMMP2MMP9
SCHEMBL16460256 0.78 MMP2 (0.50) NPY5RALDH1A1MAPTMMP2MMP9
SCHEMBL16458817 0.77 ALDH1A1 (0.47) NPY5RALDH1A1MAPTMMP2MMP9
SCHEMBL16459581 0.73 F2 (0.48) NPY5RBCHEF2TMPRSS6F10
SCHEMBL16459794 0.73 NPY5R (0.51) NPY5RALDH1A1MAPTMMP2MMP9
SCHEMBL16458894 0.72 MMP2 (0.47) NPY5RALDH1A1MAPTMMP2MMP9

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 4010/4885ALDH1A1 2471/4885MAPT 1066/4885

“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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