SCHEMBL1607650

SCHEMBL1607650

c1csc(C2COCC[N]2)n1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
PIK3C3 Q8NEB9 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
SCHEMBL1607018 0.73 NOS3 (0.39) NOS3NOS2
SCHEMBL31610616 0.71 PIK3C3 (0.35) NOS3NOS2PIK3C3
SCHEMBL1607449 0.71 NOS3 (0.38) NOS3NOS2
SCHEMBL27858991 0.70 PIK3C3 (0.32) NOS3NOS2PIK3C3
SCHEMBL28089091 0.70
SCHEMBL1606746 0.69 NOS3 (0.38) NOS3NOS2
SCHEMBL845066 0.69 CHRM2 (0.38) NOS3NOS2
SCHEMBL12482758 0.67 MAPK1 (0.36) NOS3NOS2PIK3C3
SCHEMBL2043679 0.67 PIK3C3 (0.33) PIK3C3
SCHEMBL2407897 0.66 ALDH1A1 (0.36) NOS3NOS2

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-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
EP-2200990-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-06-30 EP disclosed
WO-2009032277-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-03-12 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-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NOS3 4452/4885NOS2 4563/4885PIK3C3 4293/4885

“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.