SCHEMBL2007696

SCHEMBL2007696

COc1cc(CNC(=O)OC(C)(C)C)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ POLB P06746 2/20 0.46
▸ CA5A P35218 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ APEX1 P27695 1/20 0.42

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 0.94 BRD9 (0.43) ALDH1A1POLB
SCHEMBL2003270 0.90 CA1 (0.42) ALDH1A1
SCHEMBL32665628 0.81 ALDH1A1 (0.48) ALDH1A1
SCHEMBL5788159 0.81 KLK5 (0.48) CA5A
SCHEMBL4615592 0.81 ALDH1A1 (0.74) ALDH1A1POLBSMN1; SMN2LMNAMEN1
SCHEMBL16168349 0.80 CA12 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL8232973 0.80 ALDH1A1 (0.56) ALDH1A1POLBSMN1; SMN2LMNAMAPT
SCHEMBL10165058 0.79 ALDH1A1 (0.51) ALDH1A1
SCHEMBL2948042 0.78 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2TDP1APEX1
SCHEMBL4842048 0.78 CA5A (0.58) ALDH1A1CA5ALMNATDP1KMT2A

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 4 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
EP-1965785-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. Organon (NL) 2008-09-10 — — EP disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 — — US disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 — — WO 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 1050/4885POLB 4217/4885CA5A 980/4885

“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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