SCHEMBL13033873

SCHEMBL13033873

BC(=O)N[C@H](C(=O)N(C)OC)[C@@H](C)CC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
NOS3 P29474 5/20 0.34
NOS1 P29475 5/20 0.34
NOS2 P35228 5/20 0.34
FAAH O00519 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 2/20 0.32
HTT P42858 2/20 0.31
MAPT P10636 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL1204594 0.79 CTSS (0.54) ALDH1A1CTSSCTSKHTT
SCHEMBL20028616 0.79 CTSS (0.54) ALDH1A1CTSSCTSKHTT
SCHEMBL1204596 0.79 CTSS (0.54) ALDH1A1CTSSCTSKHTT
SCHEMBL12189209 0.79 CTSS (0.54) ALDH1A1CTSSCTSKHTT
SCHEMBL14562862 0.78 FAAH (0.33) FAAH
SCHEMBL12863156 0.74 NOS3 (0.32) ALDH1A1NOS3NOS1NOS2FAAH
SCHEMBL12171866 0.73 FAAH (0.40) FAAH
SCHEMBL12877425 0.73 FAAH (0.40) FAAH
SCHEMBL476156 0.70 DPP4 (0.40) FAAH
SCHEMBL28004804 0.70 DPP4 (0.40) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842718-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production WYETH LLC (US) 2010-11-30 US disclosed
US-20100120725-A1 Substituted Phenylsulfonamide Inhibitors of Beta Amyloid Production WYETH LLC (US) 2010-05-13 US disclosed
US-7691884-B2 Heterocyclic sulfonamide inhibitors of β amyloid production WYETH (US) 2010-04-06 US disclosed
US-7671075-B2 Substituted phenylsulfonamide inhibitors of beta amyloid production WYETH (US) 2010-03-02 US disclosed
US-20100022594-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2010-01-28 US disclosed
US-20070037778-A1 Therapy and prophylaxis of Alzheimer's Disease and Down's syndrome; inhibiting beta amyloid production; 2,4-difluoro-N-[(1S,2S)-1-(hydroxymethyl)-2-methylbutyl]benzenesulfonamide WYETH (US) 2007-02-15 US disclosed
US-7166622-B2 Substituted phenylsulfonamide inhibitors of beta amyloid production WYETH (US) 2007-01-23 US 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 (3 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-20100120725-A1 Substituted Phenylsulfonamide Inhibitors of Beta Amyloid Production APP, BACE1, PSEN1 ALDH1A1 1743/4885CTSS 166/4885CTSK 1540/4885
US-20100022594-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION APP, BACE1, PSEN1 ALDH1A1 3387/4885CTSS 253/4885CTSK 2233/4885
US-20070037778-A1 Therapy and prophylaxis of Alzheimer's Disease and Down's syndrome; inhibiting beta amyloid production; 2,4-difluoro-N-[(1S,2S)-1-(hydroxymethyl)-2-methylbutyl]benzenesulfonamide BACE1, APP, PSEN1 ALDH1A1 1013/4885CTSS 410/4885CTSK 2869/4885

“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.