SCHEMBL3378076

SCHEMBL3378076

Cc1ccc(S(=O)(=O)NC2C=CC=CC2(C)[N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 5/20 0.37
RAB9A P51151 2/20 0.37
HSP90AA1 P07900 1/20 0.37
CXCR5 P32302 1/20 0.37
APLNR P35414 1/20 0.37
CCR6 P51684 1/20 0.37
GFER P55789 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL29168804 0.72 CA2 (0.46) ALDH1A1CYP3A4GAASMN1; SMN2KMT2A
SCHEMBL6250971 0.68
SCHEMBL8165319 0.67
SCHEMBL7467668 0.65 GAA (0.52) ALDH1A1CYP3A4TSHRFFAR4GAA
SCHEMBL7467674 0.65 GAA (0.52) ALDH1A1CYP3A4TSHRFFAR4GAA
SCHEMBL28270640 0.63 APP (0.41) ALDH1A1TSHRFFAR4GAAKMT2A
SCHEMBL9761888 0.63 CA1 (0.41) ALDH1A1CYP3A4TSHRGAASMN1; SMN2
SCHEMBL27609224 0.63 CA9 (0.66) ALDH1A1CYP3A4HTTFFAR4GAA
SCHEMBL4445312 0.63
SCHEMBL28902014 0.62 ALDH1A1 (0.45) ALDH1A1CYP3A4TSHRHTTFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-06-24 US disclosed
EP-1844768-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-10-17 EP 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-20100160304-A1 AROMATIC SULFONE COMPOUND AS ALDOSTERONE RECEPTOR MODULATOR NR3C2, AGTR1, AGTR2 ALDH1A1 1053/4885CYP3A4 152/4885TSHR 173/4885

“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.