SCHEMBL20812928

SCHEMBL20812928

CC(C)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.70
MEN1 O00255 5/20 0.70
ALDH1A1 P00352 3/20 0.70
PKM P14618 3/20 0.70
CA12 O43570 4/20 0.64
CA9 Q16790 4/20 0.64
CA2 P00918 3/20 0.64
CA1 P00915 2/20 0.64
KEAP1 Q14145 2/20 0.63
IL1RN P18510 1/20 0.63
ERAP1 Q9NZ08 1/20 0.63
GAA P10253 2/20 0.61
GFER P55789 1/20 0.59
TDP1 Q9NUW8 2/20 0.59
LMNA P02545 2/20 0.56
CYP3A4 P08684 1/20 0.56
THRB P10828 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
ALOX12 P18054 1/20 0.56

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
SCHEMBL9001182 0.83 KMT2A (1.00) KMT2AMEN1ALDH1A1PKMCA12
SCHEMBL6956931 0.80 TDP1 (0.59) KMT2AMEN1ALDH1A1PKMGAA
SCHEMBL8338495 0.80 KMT2A (0.78) KMT2AMEN1ALDH1A1PKMCA12
SCHEMBL28114987 0.80 KMT2A (0.66) KMT2AMEN1ALDH1A1PKMCA12
SCHEMBL25031372 0.79 KEAP1 (1.00) KMT2AMEN1ALDH1A1PKMCA12
Phenyl(Phenylsulfonyl)Amine SCHEMBL114765 0.79 KEAP1 (1.00) KMT2AMEN1ALDH1A1PKMCA12
SCHEMBL810795 0.79 KMT2A (0.91) KMT2AMEN1ALDH1A1PKMCA12
SCHEMBL13831126 0.79 KDM4E (0.69) KMT2AMEN1ALDH1A1LMNAALOX15
SCHEMBL322990 0.78 CA12 (1.00) KMT2AMEN1ALDH1A1PKMCA12
SCHEMBL19119164 0.78 CA12 (1.00) KMT2AMEN1ALDH1A1PKMCA12

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-20190075798-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2019-03-14 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-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 KMT2A 4243/4885MEN1 1871/4885ALDH1A1 3568/4885

“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.