SCHEMBL6880708

SCHEMBL6880708

CCOC(=O)[C@@H]1C=CCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR2C P28335 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ELANE P08246 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GFER P55789 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 3/20 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
SCHEMBL29510652 0.92 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15541146 0.92 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6239540 0.89 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29136801 0.89 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4039820 0.89 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14773608 0.88 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL4045012 0.88 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL6239536 0.88 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13291997 0.85 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15541150 0.85 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 US disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed
WO-2011091407-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLP (US) 2011-07-28 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 (2 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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 PSEN1 1316/4885PSEN2 1278/4885APH1B 1748/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 PSEN1 1316/4885PSEN2 1278/4885APH1B 1748/4885

“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.