SCHEMBL2196344

SCHEMBL2196344

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1C(c2ccc(F)cc2)c2c[nH]nc2C1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.41
PSEN2 P49810 14/20 0.41
APH1B Q8WW43 14/20 0.41
NCSTN Q92542 14/20 0.41
APH1A Q96BI3 14/20 0.41
PSENEN Q9NZ42 14/20 0.41
P2RX3 P56373 1/20 0.37
AKR1C3 P42330 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
CYP3A4 P08684 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL2198351 0.92 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2197725 0.89 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2199556 0.88 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2199823 0.86 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2196251 0.82 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2197565 0.82 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2200332 0.79 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16327484 0.77 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2196114 0.77 TRPA1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2197576 0.74 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A

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 10 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 claimed
US-7977368-B2 Pyrazolopyrrolidines as inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2011-07-12 US claimed
EP-2152713-A1 PYRAZOLOPYRROLIDINES AS INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2010-02-17 EP claimed
US-20090099235-A1 Pyrazolopyrrolidines as Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2009-04-16 US claimed
WO-2008147800-A1 PYRAZOLOPYRROLIDINES AS INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2008-12-04 WO claimed
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
EP-2152713-A1 PYRAZOLOPYRROLIDINES AS INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2010-02-17 EP disclosed
US-20090099235-A1 Pyrazolopyrrolidines as Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2009-04-16 US disclosed
WO-2008147800-A1 PYRAZOLOPYRROLIDINES AS INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2008-12-04 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-20090099235-A1 Pyrazolopyrrolidines as Inhibitors of Gamma Secretase BACE1, BACE2, APP PSEN1 4/4885PSEN2 5/4885APH1B 8/4885

“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.