SCHEMBL11745892

SCHEMBL11745892

Cc1cc(S(=O)(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 2/20 0.51
NSD2 O96028 1/20 0.49
GAA P10253 1/20 0.49
PLCG1 P19174 1/20 0.49
DNMT1 P26358 1/20 0.49
CASP6 P55212 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MCOLN3 Q8TDD5 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CA1 P00915 3/20 0.43

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
SCHEMBL11745901 1.00 TSHR (0.54) TSHRALDH1A1HPGDTDP1MAPT
SCHEMBL731102 0.85 MCOLN3 (0.60) TSHRALDH1A1HPGDTDP1NSD2
SCHEMBL9568275 0.84 MCOLN3 (0.59) TSHRALDH1A1HPGDTDP1NSD2
Hydrochloric Acid SCHEMBL28777156 0.84 MCOLN3 (0.59) TSHRALDH1A1HPGDTDP1NSD2
SCHEMBL9568274 0.84 MCOLN3 (0.59) TSHRALDH1A1HPGDTDP1NSD2
SCHEMBL6516381 0.83 MAPT (0.53) TSHRALDH1A1HPGDMAPTHSD17B10
SCHEMBL28110935 0.83 SMN1; SMN2 (0.52) TSHRALDH1A1HPGDTDP1MAPT
SCHEMBL392626 0.82 HPGD (0.62) TSHRALDH1A1HPGDTDP1NSD2
SCHEMBL1828638 0.81 MAPT (0.51) TSHRALDH1A1HPGDMAPTHSD17B10
SCHEMBL10423505 0.81 ALDH1A1 (0.60) TSHRALDH1A1HPGDTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4063889-A Halosolvent dyeing process for polyester with cationic dyes having sulfosuccinate anions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-12-20 US claimed
US-9206125-B2 Use of compound binding to mSin3B that specifically binds to neuron restrictive silencer factor (NRSF) PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2015-12-08 US disclosed
US-9206125-B2 Use of compound binding to mSin3B that specifically binds to neuron restrictive silencer factor (NRSF) PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2015-12-08 US disclosed
US-9206125-B2 Use of compound binding to mSin3B that specifically binds to neuron restrictive silencer factor (NRSF) PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2015-12-08 US disclosed
US-20130203738-A1 USE OF COMPOUND BINDING TO MSIN3B THAT SPECIFICALLY BINDS TO NEURON RESTRICTIVE SILENCER FACTOR (NRSF) NAGOYA CITY UNIVERSITY (JP) 2013-08-08 US disclosed
US-20130203738-A1 USE OF COMPOUND BINDING TO MSIN3B THAT SPECIFICALLY BINDS TO NEURON RESTRICTIVE SILENCER FACTOR (NRSF) NAGOYA CITY UNIVERSITY (JP) 2013-08-08 US disclosed
US-20130203738-A1 USE OF COMPOUND BINDING TO MSIN3B THAT SPECIFICALLY BINDS TO NEURON RESTRICTIVE SILENCER FACTOR (NRSF) NAGOYA CITY UNIVERSITY (JP) 2013-08-08 US disclosed
EP-2535059-A1 USE OF COMPOUND BINDING TO MSIN3B THAT SPECIFICALLY BINDS TO NEURON RESTRICTIVE SILENCER FACTOR (NRSF) Public University Corporation Yokohama City University (JP) 2012-12-19 EP disclosed
EP-2535059-A1 USE OF COMPOUND BINDING TO MSIN3B THAT SPECIFICALLY BINDS TO NEURON RESTRICTIVE SILENCER FACTOR (NRSF) Public University Corporation Yokohama City University (JP) 2012-12-19 EP disclosed
US-4063889-A Halosolvent dyeing process for polyester with cationic dyes having sulfosuccinate anions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-12-20 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-20130203738-A1 USE OF COMPOUND BINDING TO MSIN3B THAT SPECIFICALLY BINDS TO NEURON RESTRICTIVE SILENCER FACTOR (NRSF) RCOR1, MSI2, RCOR3 TSHR 2959/4885ALDH1A1 2604/4885HPGD 3352/4885

“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.