SCHEMBL2204265

SCHEMBL2204265

COC(=O)C[C@@H](NS(=O)(=O)c1cccc2ccccc12)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.52
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
ATM Q13315 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CASP1 P29466 3/20 0.46
TACR3 P29371 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HCRTR1 O43613 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
EEF2K O00418 1/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
PPARG P37231 2/20 0.42
PGR P06401 1/20 0.41

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
SCHEMBL2202179 0.87 ATM (0.58) KCNA5SLC1A3SLC1A2SLC1A1ATM
SCHEMBL5783709 0.85 SLC1A3 (0.56) KCNA5SLC1A3SLC1A2SLC1A1ATM
SCHEMBL13780961 0.78 CYP1A2 (0.55) SLC1A3SLC1A2SLC1A1ATML3MBTL1
SCHEMBL2933326 0.78 CYP1A2 (0.55) SLC1A3SLC1A2SLC1A1ATML3MBTL1
SCHEMBL10676001 0.75 SCN1A (0.51) CASP1ALDH1A1TSHRHCRTR1F2
SCHEMBL2693257 0.75 SLC1A3 (0.63) KCNA5SLC1A3SLC1A2SLC1A1CASP1
SCHEMBL5878531 0.74 ALDH1A1 (0.54) ATML3MBTL1ALDH1A1ITGB3ITGAV
SCHEMBL4846869 0.74 METAP2 (0.47) TACR3ALDH1A1
SCHEMBL7189013 0.73 ALDH1A1 (0.50) ATML3MBTL1ALDH1A1TSHRITGB3
SCHEMBL7238847 0.73 PRKD3 (0.64) ALDH1A1HCRTR1F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
EP-2344457-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2011-07-20 EP disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 WO 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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN KCNA5 37/4885SLC1A3 3292/4885SLC1A2 3458/4885

“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.