SCHEMBL2003270

SCHEMBL2003270

CC(C)(C)OC(=O)NCc1ccc(OS(=O)(=O)C(F)(F)F)c(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 3/20 0.42
▸ HDAC1 Q13547 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ BRD9 Q9H8M2 1/20 0.39
▸ BAZ2B Q9UIF8 1/20 0.39
▸ BAZ2A Q9UIF9 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ SCN3A Q9NY46 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ GSTO1 P78417 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL5751130 0.93 BRD9 (0.43) CA1CA2HDAC1L3MBTL1CA12
SCHEMBL2007696 0.90 ALDH1A1 (0.50) ALDH1A1
SCHEMBL29130060 0.80 TSHR (0.51) L3MBTL1GRM2SCN3AGAA
SCHEMBL16168349 0.79 CA12 (0.47) CA1CA12CA7CA14BRD9
SCHEMBL7221311 0.73 KLK5 (0.49) EPHX2
Hydrochloric Acid SCHEMBL2011133 0.73 CA2 (0.36) CA1CA2GSTO1
SCHEMBL32665628 0.73 ALDH1A1 (0.48) CA1CA2L3MBTL1BRD9BAZ2B
SCHEMBL31706256 0.73 EPAS1 (0.43) CA1CA2CA12CA7CA14
SCHEMBL18526150 0.72 MAPK14 (0.58) NAMPT
SCHEMBL10165019 0.72 L3MBTL1 (0.44) HDAC1L3MBTL1GRM2ALDH1A1NAMPT

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 CA1 1913/4885CA2 1827/4885HDAC1 411/4885

“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.

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