SCHEMBL16626787

SCHEMBL16626787

CNCc1cn(S(=O)(=O)c2cccnc2)c2cc(Oc3ccccc3[N+](=O)[O-])ccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.40
IKBKB O14920 2/20 0.38
ALDH1A1 P00352 3/20 0.36
IDE P14735 1/20 0.36
RAB9A P51151 1/20 0.35
MAPT P10636 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
Hydrochloric Acid SCHEMBL16618771 0.99 HTR6 (0.39) HTR6IKBKBALDH1A1IDERAB9A
SCHEMBL16626641 0.91 POLB (0.38) HTR6MAPTGAAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL16618961 0.90 POLB (0.38) HTR6MAPTGAA
SCHEMBL19984295 0.81 ALDH1A1 (0.36) IKBKBALDH1A1RAB9AMAPTCYP1A2
SCHEMBL17971584 0.81 PDE4A (0.41) HTR6IDETSHR
Isophthalic Acid SCHEMBL28068046 0.81 MAPT (0.39) IKBKBALDH1A1RAB9AMAPTCYP1A2
SCHEMBL16626420 0.80 ALDH3A1 (0.45) HTR6ALDH1A1MAPTLMNAMEN1
Isophthalic Acid SCHEMBL28068125 0.80 MAPT (0.38) IKBKBALDH1A1RAB9AMAPTCYP1A2
Hydrochloric Acid SCHEMBL16619271 0.80 ALDH3A1 (0.45) HTR6ALDH1A1MAPTLMNAMEN1
SCHEMBL16626657 0.80 HTR6 (0.40) HTR6IDE

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 claimed
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 166/4885IKBKB 753/4885ALDH1A1 2153/4885

“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.