SCHEMBL16458946

SCHEMBL16458946

O=C(N[CH]CC1CC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2oc3ncccc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ MMP2 P08253 6/20 0.41
▸ MMP13 P45452 3/20 0.41
▸ ADAMTS4 O75173 2/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ F2 P00734 2/20 0.40
▸ MMP9 P14780 4/20 0.40
▸ MMP12 P39900 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGAV P06756 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
SCHEMBL12225877 0.84 PSMB5 (0.46) NPY5RRXFP1POLBMMP2MMP13
SCHEMBL16458816 0.76 MMP2 (0.46) NPY5RPOLBMMP2MMP13ADAMTS4
SCHEMBL16459579 0.76 CTSL (0.43) NPY5RPOLBMMP2ADAMTS4F2
SCHEMBL16458894 0.75 MMP2 (0.47) NPY5RMMP2MMP13ADAMTS4MMP9
SCHEMBL16458533 0.75 MMP2 (0.51) NPY5RPOLBMMP2MMP13ADAMTS4
SCHEMBL16457746 0.74 MMP2 (0.44) NPY5RPOLBMMP2MMP13ADAMTS4
SCHEMBL19347783 0.74 ADAMTS4 (0.47) NPY5RMMP2MMP13ADAMTS4F2
SCHEMBL16459707 0.74 MMP2 (0.47) NPY5RPOLBMMP2MMP13ADAMTS4
SCHEMBL16459055 0.74 MMP2 (0.47) NPY5RPOLBMMP2MMP13ADAMTS4
SCHEMBL27542487 0.74 MMP13 (0.65) POLBMMP2MMP13ADAMTS4MMP14

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 4010/4885RXFP1 4660/4885POLB 802/4885

“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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