SCHEMBL3379460

SCHEMBL3379460

Cc1ccc(S(=O)(=O)CC=Cc2ccc(N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.55
GAA P10253 2/20 0.47
ALDH1A1 P00352 4/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
ACHE P22303 1/20 0.41
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
G6PD P11413 1/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL29149686 0.92 CTSK (0.64) CTSKGAAALDH1A1CYP2C19CYP3A4
SCHEMBL29149684 0.84 CTSK (0.55) CTSKGAAALDH1A1CYP2C19CYP3A4
SCHEMBL29149685 0.84 CTSK (0.55) CTSKGAAALDH1A1CYP2C19CYP3A4
SCHEMBL28585286 0.84 CTSK (0.55) CTSKALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL29169692 0.84 CTSK (0.58) CTSKALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL9620558 0.84 CTSK (0.58) CTSKALDH1A1CYP2C19CYP3A4CYP2C9
Hydrogen Sulfide SCHEMBL27733594 0.83 CTSK (0.54) CTSKALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL11038225 0.79 CTSK (0.75) CTSKGAAALDH1A1CYP2C19CYP3A4
SCHEMBL11278701 0.76 LMNA (0.44) CTSKGAALMNAMAPTMEN1
SCHEMBL27746457 0.75 HTR2A (0.49) CTSKCA12CA2CA9CA1

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 1 patent. 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

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 CTSK 3973/4885GAA 4176/4885ALDH1A1 1053/4885

“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.