SCHEMBL16459016

SCHEMBL16459016

Cc1nc(-c2cccc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCCC3CC3)c2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 2/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ HTT P42858 4/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PTGES2 Q9H7Z7 1/20 0.45
▸ LMNA P02545 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CTSL P07711 2/20 0.44
▸ CTSS P25774 2/20 0.44
▸ CTSK P43235 2/20 0.44
▸ CTSB P07858 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ GFER P55789 1/20 0.43
▸ F2 P00734 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
SCHEMBL16458831 0.87 ALDH1A1 (0.47) NPY5RALDH1A1HTTHPGDPTGES2
SCHEMBL12225904 0.84 PSMB5 (0.45) NPY5RALDH1A1HTTHPGDPTGES2
SCHEMBL15195223 0.84 PSMB5 (0.45) NPY5RALDH1A1HTTHPGDPTGES2
SCHEMBL19687309 0.83 ALDH1A1 (0.42) NPY5RALDH1A1HTTHPGDPTGES2
SCHEMBL3153318 0.81 PSMB5 (0.48) NPY5RALDH1A1HTTHPGDPTGES2
SCHEMBL16459581 0.77 F2 (0.48) NPY5RCTSLCTSSCTSKCTSB
SCHEMBL16460256 0.73 MMP2 (0.50) NPY5RALDH1A1MAPTCTSLCTSS
SCHEMBL16458895 0.73 ALDH1A1 (0.48) NPY5RALDH1A1MAPTBCHEF2
SCHEMBL16458535 0.73 ALDH1A1 (0.52) NPY5RALDH1A1MAPTPOLBBCHE
SCHEMBL16458817 0.71 ALDH1A1 (0.47) NPY5RALDH1A1MAPTBCHEF2

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 2471/4885HTT 258/4885

“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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