SCHEMBL5233645

SCHEMBL5233645

Cc1nn(C(F)F)c(C)c1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RORC P51449 1/20 0.30
HTT P42858 1/20 0.30

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
Hydrochloric Acid SCHEMBL28086954 0.98 KDM4E (0.46) KDM4EPOLBAPEX1TDP1FPR2
SCHEMBL2005829 0.81 FPR2 (0.43) KDM4EPOLBAPEX1TDP1FPR2
SCHEMBL3069717 0.72 KDM4E (0.53) KDM4EPOLBAPEX1TDP1FPR2
SCHEMBL15230761 0.67 HTT (0.47) POLBALDH1A1HTT
SCHEMBL3462293 0.66 POLB (0.71) KDM4EPOLBAPEX1TDP1HTT
SCHEMBL25235716 0.66 SMN1; SMN2 (0.38) KDM4E
SCHEMBL13908401 0.65
SCHEMBL3066671 0.64 POLB (1.00) KDM4EPOLBAPEX1TDP1ALDH1A1
Benzene SCHEMBL28024132 0.64 POLB (1.00) KDM4EPOLBAPEX1TDP1ALDH1A1
SCHEMBL3925724 0.62

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
CN-101534811-A Compounds with medicinal effects due to interaction with the glucocorticoid receptor ORGANON NV (NL) 2009-09-16 CN disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R KDM4E 2478/4885POLB 4217/4885APEX1 1350/4885

“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.