SCHEMBL2197409

SCHEMBL2197409

CC[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.43
BRD4 O60885 2/20 0.37
BRD2 P25440 2/20 0.37
ECE1 P42892 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36

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
SCHEMBL2200851 0.92 BRD4 (0.45) HSD11B1BRD4BRD2ECE1GAA
SCHEMBL2197382 0.84 CACNA1B (0.40) HSD11B1ALDH1A1GAAPSEN1PSEN2
SCHEMBL2197273 0.83 PSEN1 (0.37) HSD11B1ECE1ALDH1A1GAAPSEN1
SCHEMBL2197971 0.81 TRPA1 (0.41) ALDH1A1GAA
SCHEMBL2197974 0.81 TRPA1 (0.41) ALDH1A1GAA
SCHEMBL4574469 0.79 POLB (0.40) ALDH1A1GAA
SCHEMBL12429271 0.78 PPM1D (0.31)
SCHEMBL4574792 0.73 MCOLN3 (0.39) HSD11B1ALDH1A1
SCHEMBL5421629 0.73 LMNA (0.41) ECE1ALDH1A1
SCHEMBL5421626 0.73 LMNA (0.41) ECE1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152713-B1 PYRAZOLOPYRROLIDINES AS INHIBITORS OF GAMMA SECRETASE ELAN PHARM INC (US) 2011-09-07 EP disclosed
US-7977368-B2 Pyrazolopyrrolidines as inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-7977368-B2 Pyrazolopyrrolidines as inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-20090099235-A1 Pyrazolopyrrolidines as Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090099235-A1 Pyrazolopyrrolidines as Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2009-04-16 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-20090099235-A1 Pyrazolopyrrolidines as Inhibitors of Gamma Secretase BACE1, BACE2, APP HSD11B1 1828/4885BRD4 1883/4885BRD2 2772/4885

“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.