SCHEMBL2256181

SCHEMBL2256181

CC(=O)CC(=O)c1ccc(F)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
TAS1R2 Q8TE23 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
TSHR P16473 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
SLC2A1 P11166 1/20 0.42

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
SCHEMBL4712029 0.84 NPC1 (0.47) TAS1R3TAS1R1TAS1R2SMN1; SMN2TSHR
SCHEMBL23709229 0.84 CES2 (0.55) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL23294373 0.83 MEN1 (0.50) TAS1R3TAS1R1TAS1R2SMN1; SMN2TSHR
SCHEMBL2538090 0.82 TSHR (0.58) TAS1R3TAS1R1TAS1R2SMN1; SMN2TSHR
SCHEMBL22570695 0.82 KCNQ3 (0.43) TAS1R3TAS1R1TAS1R2SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL29391461 0.81 KMO (0.44) TAS1R3TAS1R1TAS1R2SMN1; SMN2TSHR
SCHEMBL14982171 0.81 PIM1 (0.52) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL27503767 0.80 KCNQ3 (0.44) TAS1R3TAS1R1TAS1R2SMN1; SMN2TSHR
SCHEMBL7144096 0.80 GSK3B (0.59) TAS1R3TAS1R1TAS1R2SMN1; SMN2TSHR
SCHEMBL1924889 0.80 PLOD2 (0.60) TAS1R3TAS1R1TAS1R2SMN1; SMN2TSHR

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 TAS1R3 3024/4885TAS1R1 2937/4885TAS1R2 3292/4885

“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.