SCHEMBL3202545

SCHEMBL3202545

CCN(C(C)C(=O)OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.44

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
SCHEMBL5748413 0.93 PKM (0.43) PKMALDH1A1MEN1KMT2AMMP1
SCHEMBL19243561 0.86
SCHEMBL13112930 0.85 NPSR1 (0.44) ALDH1A1MEN1KMT2AMMP1MMP2
SCHEMBL13112931 0.85 NPSR1 (0.43) ALDH1A1MEN1KMT2AMMP1MMP2
SCHEMBL13165155 0.80 CA12 (0.39) MMP1MMP2MMP9MMP8MMP13
SCHEMBL14499654 0.80 MEN1 (0.46) MEN1KMT2ANPSR1
SCHEMBL31220617 0.80 MEN1 (0.50) MEN1KMT2ANPSR1
SCHEMBL13112923 0.79 MMP1 (0.40) MMP1MMP2MMP9MMP13
SCHEMBL13112933 0.78 MMP1 (0.38) ALDH1A1MMP1MMP2MMP9MMP8
SCHEMBL31220386 0.78 KMT2A (0.48) PKMMEN1KMT2AMMP1MMP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674803-B2 Thiazolypiperidine derivatives as MTP inhibitors MERCK PATENT GMBH (DE) 2010-03-09 US disclosed
EP-1636218-B1 THIAZOLYLPIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GMBH (DE) 2009-03-25 EP disclosed
US-20070054939-A1 Thiazolypiperidine derivatives as mtp inhibitors MERCK PATNET GMBH (DE) 2007-03-08 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-20070054939-A1 Thiazolypiperidine derivatives as mtp inhibitors MTTP, CETP, APOB PKM 1159/4885ALDH1A1 955/4885MEN1 3349/4885

“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.