SCHEMBL2202179

SCHEMBL2202179

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
EEF2K O00418 4/20 0.55
SLC1A3 P43003 1/20 0.55
SLC1A2 P43004 1/20 0.55
SLC1A1 P43005 1/20 0.55
CASP1 P29466 3/20 0.55
ALDH1A1 P00352 2/20 0.54
KCNA5 P22460 1/20 0.53
TSHR P16473 1/20 0.48
ITGB3 P05106 3/20 0.47
ITGAV P06756 3/20 0.47
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 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
SCHEMBL5783709 0.90 SLC1A3 (0.56) ATML3MBTL1EEF2KSLC1A3SLC1A2
SCHEMBL2204265 0.87 KCNA5 (0.52) ATML3MBTL1EEF2KSLC1A3SLC1A2
SCHEMBL8684370 0.82 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1CASP1TSHR
SCHEMBL6945237 0.81 KCNA5 (0.57) ATML3MBTL1EEF2KALDH1A1KCNA5
SCHEMBL9154395 0.80 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1CASP1ALDH1A1
SCHEMBL5683299 0.80 CASP1 (0.82) SLC1A3SLC1A2SLC1A1CASP1ALDH1A1
SCHEMBL7785619 0.80 ATM (0.42) ATML3MBTL1EEF2KSLC1A3SLC1A2
SCHEMBL2693257 0.79 SLC1A3 (0.63) SLC1A3SLC1A2SLC1A1CASP1ALDH1A1
SCHEMBL7785621 0.78 ITGB3 (0.48) ATML3MBTL1EEF2KSLC1A3SLC1A2
SCHEMBL28404274 0.78 ATM (0.76) ATML3MBTL1EEF2KALDH1A1ITGB3

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 ATM 1737/4885L3MBTL1 3336/4885EEF2K 4273/4885

“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.