SCHEMBL2197619

SCHEMBL2197619

COC(=O)C1c2n[nH]cc2C(C(F)(F)F)N1S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.41
PSEN2 P49810 10/20 0.41
APH1B Q8WW43 10/20 0.41
NCSTN Q92542 10/20 0.41
APH1A Q96BI3 10/20 0.41
PSENEN Q9NZ42 10/20 0.41
AKR1C3 P42330 1/20 0.40
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 2/20 0.37
CCR6 P51684 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
NAMPT P43490 1/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 2/20 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
SCHEMBL2198838 0.86 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2198351 0.76 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12326731 0.72 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2196344 0.72 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2197931 0.70 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3670188 0.70 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16327484 0.70 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3078351 0.69 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2196675 0.68 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8118749 0.68 PSEN1 (0.52) 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 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
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.