SCHEMBL5514036

SCHEMBL5514036

NS(=O)(=O)C1CC1.OC1CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.39
TSHR P16473 2/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
NT5E P21589 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL17803613 0.97 APLNR (0.38) APLNRTSHRCA1CA2NT5E
SCHEMBL8263 0.87
SCHEMBL8099149 0.87 APLNR (0.46) APLNRTSHRCA1CA2NT5E
Bromide SCHEMBL30609926 0.84
Hydrochloric Acid SCHEMBL19987689 0.84
SCHEMBL9122745 0.84
SCHEMBL28051742 0.84
Methylamine SCHEMBL27815794 0.81 APLNR (0.42) APLNRCA1CA2CA4CA6
Formic Acid SCHEMBL30620561 0.80 APLNR (0.38) APLNRTSHRCA1CA2NT5E
Fluoromethane SCHEMBL27958888 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
US-7208602-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-04-24 US disclosed
EP-1663975-A1 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-06-07 EP disclosed
US-20060100427-A1 Novel Gamma Secretase inhibitors SCHERING CORPORATION AND PHARMACOPEIA, INC. 2006-05-11 US disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
WO-2005028440-A1 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2005-03-31 WO disclosed
EP-1472223-A1 GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2004-11-03 EP disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 US disclosed
US-20040048848-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2004-03-11 US disclosed
WO-2003066592-A1 GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2003-08-14 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 (4 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-20040171614-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP APLNR 1389/4885TSHR 2937/4885CA1 371/4885
US-20040048848-A1 Novel gamma secretase inhibitors BACE1, BACE2, PSEN1 APLNR 1431/4885TSHR 3492/4885CA1 1768/4885
US-20060100427-A1 Novel Gamma Secretase inhibitors BACE1, BACE2, PSEN1 APLNR 1492/4885TSHR 2517/4885CA1 1397/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP APLNR 1049/4885TSHR 1837/4885CA1 572/4885

“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.