SCHEMBL2249665

SCHEMBL2249665

CCOC(=O)NC(=O)N(S)c1nccnc1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
PKM P14618 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX5 P09917 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL2253741 0.84 SMN1; SMN2 (0.39) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL2634412 0.75 SMN1; SMN2 (0.45) ALDH1A1HPGDMAPTNPSR1NPC1
SCHEMBL2251554 0.75 SCN9A (0.40) ALDH1A1NPC1RAB9ATHRBALOX12
SCHEMBL6877180 0.75 SMN1; SMN2 (0.43) ALDH1A1KDM4EHPGDPKMMAPT
SCHEMBL2249663 0.74 MAPT (0.40) ALDH1A1KDM4EHPGDPKMMAPT
SCHEMBL2634885 0.74 SMN1; SMN2 (0.44) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL2249860 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL2251909 0.73 SMN1; SMN2 (0.43) ALDH1A1HPGDMAPTNPC1MAPK1
SCHEMBL28557994 0.69 GAA (0.45) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL2254282 0.68 CTSB (0.39) ALDH1A1KDM4ENPC1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531503-A1 GAMMA SECRETASE MODULATERS F. Hoffmann-La Roche AG (CH) 2012-12-12 EP disclosed
WO-2011092272-A1 GAMMA SECRETASE MODULATERS F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 WO disclosed
US-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 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-20110190269-A1 GAMMA SECRETASE MODULATORS BACE1, APH1A, APH1B ALDH1A1 2136/4885KDM4E 4417/4885HPGD 181/4885

“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.