SCHEMBL13889019

SCHEMBL13889019

O=S(=O)(NCCCc1ccccc1)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.76
ALDH1A1 P00352 6/20 0.72
GAA P10253 2/20 0.68
TP53 P04637 1/20 0.68
PKM P14618 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
LMNA P02545 2/20 0.57
HSD17B10 Q99714 1/20 0.55
PRMT1 Q99873 1/20 0.55
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.53
CYP19A1 P11511 1/20 0.52
SGMS1 Q86VZ5 1/20 0.52

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
SCHEMBL1287382 0.96 TAAR1 (0.82) TAAR1ALDH1A1GAATP53PKM
SCHEMBL13889021 0.91 ALDH1A1 (0.81) TAAR1ALDH1A1GAATP53PKM
SCHEMBL4516002 0.88 TAAR1 (0.70) TAAR1ALDH1A1GAATP53PKM
SCHEMBL13073499 0.86 TAAR1 (1.00) TAAR1ALDH1A1GAAPKMMEN1
SCHEMBL407477 0.85 ALDH1A1 (1.00) TAAR1ALDH1A1GAATP53PKM
SCHEMBL1287459 0.81 ALDH1A1 (0.74) TAAR1ALDH1A1GAATP53PKM
SCHEMBL28808214 0.81 ALDH1A1 (0.79) TAAR1ALDH1A1GAATP53MEN1
SCHEMBL1287271 0.81 ALDH1A1 (1.00) TAAR1ALDH1A1GAATP53MEN1
SCHEMBL3913371 0.81 ALDH1A1 (0.79) TAAR1ALDH1A1GAATP53PKM
SCHEMBL30375512 0.81 TAAR1 (0.53) TAAR1ALDH1A1

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-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-04-09 US disclosed
US-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-04-09 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-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases NR3C1, NR3C2, NR5A1 TAAR1 569/4885ALDH1A1 2398/4885GAA 3779/4885

“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.