SCHEMBL17376396

SCHEMBL17376396

N#CCS(=O)(=O)c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
KMT2A Q03164 3/20 0.41
SOS1 Q07889 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GFER P55789 2/20 0.37
MEN1 O00255 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35

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
SCHEMBL20443273 0.84 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17376376 0.84 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17376631 0.80 MEP1B (0.48) KMT2APTGDR2LMNANAMPT
SCHEMBL2320786 0.79 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2320239 0.76 CA12 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL806970 0.76 GAA (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3247012 0.76 ALDH1A1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28842239 0.75 CA12 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17376536 0.75 EPAS1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11158255 0.74 ALDH1A1 (0.43) KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106488919-B 3-substituted 2-aminoindole derivatives 武田药品工业株式会社 2018-10-23 CN disclosed
US-10059713-B2 3-substituted 2-amino-indole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-28 US disclosed
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA CAMBRIDGE LIMITED (GB) 2017-06-08 US disclosed
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA CAMBRIDGE LIMITED (GB) 2017-06-08 US disclosed
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA CAMBRIDGE LIMITED (GB) 2017-06-08 US disclosed
EP-3160965-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2017-05-03 EP disclosed
CN-106488919-A 3-substituted 2-aminoindole derivatives 武田药品工业株式会社 2017-03-08 CN disclosed
WO-2015198045-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-30 WO disclosed
WO-2015198045-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-30 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 (2 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-10059713-B2 3-substituted 2-amino-indole derivatives NPY5R, XDH, NPY4R PSEN1 4191/4885PSEN2 3316/4885APH1B 4595/4885
US-20170158700-A1 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES NPY5R, XDH, NPY4R PSEN1 4191/4885PSEN2 3316/4885APH1B 4595/4885

“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.