SCHEMBL16169010

SCHEMBL16169010

CC(C)[C@H](N[S@+]([O-])C(C)(C)C)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
ALOX5 P09917 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 2/20 0.31
SHMT2 P34897 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL30238674 0.85 MEN1 (0.36) MAPTALOX5SMN1; SMN2MEN1KMT2A
SCHEMBL30530715 0.79 L3MBTL1 (0.33) ALOX5
SCHEMBL25325127 0.77 ALOX5 (0.31) ALOX5
SCHEMBL25326895 0.77 ALOX5 (0.31) ALOX5
SCHEMBL25912806 0.77 ALOX5 (0.31) ALOX5
SCHEMBL25912810 0.77 ALOX5 (0.31) ALOX5
SCHEMBL15081493 0.77 CTSK (0.40) MAPTALOX5SMN1; SMN2MEN1KMT2A
SCHEMBL25366959 0.75
SCHEMBL25366961 0.75
SCHEMBL25366955 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 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 (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-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 MAPT 4402/4885ALOX5 3279/4885SMN1; SMN2 2614/4885

“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.