SCHEMBL2004017

SCHEMBL2004017

CCOc1cc(CNS(=O)(=O)c2ccccc2OC(F)(F)F)ccc1-c1cc(C)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 7/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
HTR7 P34969 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
FABP4 P15090 1/20 0.38

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
SCHEMBL2009533 0.83 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2LMNAKDM4ECYP2C19
SCHEMBL12491364 0.71 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2LMNACYP2C19KMT2A
SCHEMBL3317109 0.70 CHEK1 (0.57) MEN1KMT2A
SCHEMBL6419015 0.68 LMNA (0.71) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL5165402 0.67 GAA (0.64) ALDH1A1LMNAKDM4ETP53MEN1
SCHEMBL16660682 0.67 ALDH1A1 (0.76) ALDH1A1HPGDSMN1; SMN2LMNACYP3A4
SCHEMBL17101815 0.67 LMNA (0.43) SMN1; SMN2LMNAKMT2AFABP4
SCHEMBL2007110 0.67 NR3C1 (0.49) ALDH1A1SMN1; SMN2NR3C1PGR
SCHEMBL2004236 0.67 NR3C1 (0.59) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL3688266 0.67 CA12 (0.51)

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-7960365-B2 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2011-06-14 US 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 ALDH1A1 1050/4885HPGD 1665/4885SMN1; SMN2 2173/4885

“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.