SCHEMBL1945823

SCHEMBL1945823

CCC(C)(C)c1ccc(S(=O)(=O)NCc2c(-c3ccccc3)noc2C)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.75
NPSR1 Q6W5P4 1/20 0.75
PKM P14618 3/20 0.74
TDP1 Q9NUW8 1/20 0.61
PTGS2 P35354 3/20 0.47
MT-CO2 P00403 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR4A2 P43354 1/20 0.47
GABRA5 P31644 1/20 0.45
NR3C1 P04150 1/20 0.42
NR3C2 P08235 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL1948484 0.86 ALDH1A1 (0.90) ALDH1A1NPSR1PKMTDP1PTGS2
SCHEMBL1946242 0.81 ALDH1A1 (0.80) ALDH1A1NPSR1PKMTDP1PTGS2
SCHEMBL1948804 0.80 ALDH1A1 (0.73) ALDH1A1NPSR1PKMTDP1PTGS2
SCHEMBL1948067 0.79 ALDH1A1 (0.76) ALDH1A1NPSR1PKMTDP1PTGS2
SCHEMBL23052525 0.75 CA12 (0.63) ALDH1A1L3MBTL1KDM4E
SCHEMBL1945818 0.74 ALDH1A1 (0.72) ALDH1A1NPSR1PKMTDP1PTGS2
SCHEMBL5586953 0.71 PTGS2 (0.75) ALDH1A1NPSR1PKMTDP1PTGS2
SCHEMBL1946175 0.71 ALDH1A1 (0.72) ALDH1A1NPSR1PKMTDP1MAPT
SCHEMBL4538378 0.70 PTGS2 (0.72) ALDH1A1NPSR1PKMTDP1PTGS2
SCHEMBL5069852 0.69 PTGS2 (0.75) ALDH1A1NPSR1PKMPTGS2MT-CO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130426-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2011-06-02 US disclosed
US-20110130426-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2011-06-02 US disclosed
US-20110130426-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2011-06-02 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-20110130426-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases NR3C1, NR3C2, NR5A1 ALDH1A1 2813/4885NPSR1 225/4885PKM 2418/4885

“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.