SCHEMBL2003687

SCHEMBL2003687

COc1ccc(S(=O)(=O)NCc2ccc(-c3cc(F)ccc3OC)c(OC)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.57
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
TSHR P16473 2/20 0.50
HTT P42858 2/20 0.50
NR3C1 P04150 2/20 0.50
PGR P06401 2/20 0.50
THRB P10828 1/20 0.50
RECQL P46063 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47

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
SCHEMBL1893565 0.80 ALDH1A1 (0.76) CYP19A1ALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL2006618 0.78 NR3C1 (0.51) ALDH1A1SMN1; SMN2NR3C1PGRLMNA
SCHEMBL30596341 0.75 SMN1; SMN2 (0.59) CYP19A1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL29087314 0.75 SMN1; SMN2 (0.59) CYP19A1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL2004236 0.74 NR3C1 (0.59) ALDH1A1SMN1; SMN2NR3C1PGRLMNA
SCHEMBL28003775 0.73 SMN1; SMN2 (0.74) CYP19A1ALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL13537713 0.73 ALDH1A1 (0.72) CYP19A1ALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL2009285 0.73 NR3C1 (0.52) CYP19A1ALDH1A1SMN1; SMN2NR3C1PGR
SCHEMBL2002824 0.72 GAA (0.47) ALDH1A1SMN1; SMN2HTTNR3C1PGR
SCHEMBL28195553 0.72 HTT (0.75) CYP19A1ALDH1A1SMN1; SMN2HTTLMNA

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 CYP19A1 304/4885ALDH1A1 1050/4885SMN1; 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.