SCHEMBL12871275

SCHEMBL12871275

CCOC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCOC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPN P05981 4/20 0.52
▸ MMP1 P03956 3/20 0.45
▸ MMP2 P08253 3/20 0.45
▸ MMP3 P08254 3/20 0.45
▸ MMP9 P14780 3/20 0.45
▸ MME P08473 1/20 0.45
▸ MMP14 P50281 1/20 0.45
▸ ADAM17 P78536 1/20 0.45
▸ MMP13 P45452 3/20 0.45
▸ MMP7 P09237 2/20 0.45
▸ MMP8 P22894 2/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PLAU P00749 2/20 0.42
▸ AIMP2 Q13155 1/20 0.42

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
SCHEMBL15705592 1.00 HPN (0.52) HPNMMP1MMP2MMP3MMP9
SCHEMBL15711262 1.00 HPN (0.52) HPNMMP1MMP2MMP3MMP9
SCHEMBL12871274 1.00 HPN (0.52) HPNMMP1MMP2MMP3MMP9
SCHEMBL15711183 1.00 HPN (0.52) HPNMMP1MMP2MMP3MMP9
SCHEMBL12871240 1.00 HPN (0.52) HPNMMP1MMP2MMP3MMP9
SCHEMBL17803916 1.00 HPN (0.52) HPNMMP1MMP2MMP3MMP9
SCHEMBL15705595 1.00 HPN (0.52) HPNMMP1MMP2MMP3MMP9
SCHEMBL12871246 0.93 HPN (0.46) HPNMMP1MMP2MMP3MMP9
SCHEMBL15705576 0.93 HPN (0.46) HPNMMP1MMP2MMP3MMP9
SCHEMBL1175730 0.86 HPN (0.55) HPNMMP1MMP2MMP3MMP9

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-20110046199-A1 SMALL MOLECULE INHIBITORS OF HIV PROTEASES PURDUE RESEARCH FOUNDATION (US) 2011-02-24 — — 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-20110046199-A1 SMALL MOLECULE INHIBITORS OF HIV PROTEASES SERPINB1, PRSS1, TMPRSS15 HPN 12/4885MMP1 171/4885MMP2 57/4885

“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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