SCHEMBL16626799

SCHEMBL16626799

CN(Cc1cn(S(=O)(=O)c2cccc(F)c2)c2nc(Br)ccc12)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
SLC6A4 P31645 2/20 0.34
HTR7 P34969 1/20 0.34
IDE P14735 1/20 0.34
SOS1 Q07889 1/20 0.33
PTGER2 P43116 2/20 0.33
DRD2 P14416 1/20 0.33
IDH1 O75874 1/20 0.32

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
SCHEMBL16618767 0.88 HTR6 (0.39) HTR6HDAC1HDAC2HDAC6HTR2A
SCHEMBL16626488 0.84 HTR6 (0.42) HTR6HDAC1HDAC2HDAC6SOS1
SCHEMBL16626796 0.84 HTR6 (0.39) HTR6HDAC1HDAC2HDAC6HTR2A
SCHEMBL16626800 0.82 HDAC1 (0.33) HTR6HDAC1HDAC2HDAC6HTR2A
SCHEMBL2416549 0.80 RIPK1 (0.39) HTR6HTR2CSLC6A4IDH1
SCHEMBL16626658 0.79 HTR6 (0.39) HTR6HDAC1HDAC2HDAC6HTR2A
SCHEMBL19971354 0.77 HTR6 (0.38) HTR6HTR2AHTR2CHTR7IDE
SCHEMBL16618911 0.77 HTR6 (0.42) HTR6HTR2AHTR2CHTR7IDE
SCHEMBL4420269 0.76 HTR6 (0.37) HTR6HDAC1HDAC6HTR2AHTR2C
SCHEMBL16626661 0.75 RORC (0.45) HTR6HDAC1HDAC2HDAC6SOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed
US-9676714-B2 Sulfonylindole derivatives and method for preparing the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2017-06-13 US disclosed
US-9676714-B2 Sulfonylindole derivatives and method for preparing the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2017-06-13 US disclosed
US-20160221946-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2016-08-04 US disclosed
US-20160221946-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2016-08-04 US disclosed
WO-2015050412-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-09 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 (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-20160221946-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME GIPR, PGC, SI HTR6 166/4885HDAC1 2895/4885HDAC2 1630/4885

“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.