SCHEMBL2105567

SCHEMBL2105567

COC(=O)[C@@H]1C[C@H](OS(=O)(=O)c2cccc([N+](=O)[O-])c2)CN1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.42
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
GPR17 Q13304 3/20 0.38
MMP2 P08253 2/20 0.37
HTR6 P50406 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL695456 1.00 FKBP1A (0.42) FKBP1APRMT5WDR77F2PRSS1
SCHEMBL14974360 0.79 NR1H2 (0.49) FKBP1APRMT5WDR77F2PRSS1
SCHEMBL2685496 0.79 NR1H2 (0.49) FKBP1APRMT5WDR77F2PRSS1
SCHEMBL2107851 0.79 NR1H2 (0.49) FKBP1APRMT5WDR77F2PRSS1
SCHEMBL7968279 0.75 GAA (0.43) MAPTALDH1A1MMP2LMNA
SCHEMBL2102798 0.75 GAA (0.43) MAPTALDH1A1MMP2LMNA
SCHEMBL696232 0.75 GAA (0.43) MAPTALDH1A1MMP2LMNA
SCHEMBL7985048 0.75 GAA (0.43) MAPTALDH1A1MMP2LMNA
SCHEMBL701211 0.74 PRMT5 (0.45) FKBP1APRMT5WDR77F2PRSS1
SCHEMBL7981677 0.74 CTSL (0.39) MAPTALDH1A1MMP2LMNATDP1

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
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 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-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 FKBP1A 54/4885PRMT5 137/4885WDR77 491/4885

“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.