SCHEMBL2199891

SCHEMBL2199891

CCC1CC(=O)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.44
MMP3 P08254 2/20 0.44
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MMP2 P08253 2/20 0.41
ANPEP P15144 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
CASP3 P42574 1/20 0.39

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
SCHEMBL2199884 1.00 MMP8 (0.44) MMP8MMP3PSEN1PSEN2APH1B
SCHEMBL8105038 0.82 MMP8 (0.46) MMP8MMP3PSEN1PSEN2APH1B
SCHEMBL9893060 0.77 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2200359 0.77 MMP8 (0.47) MMP8MMP3PSEN1PSEN2APH1B
SCHEMBL2200364 0.77 MMP8 (0.47) MMP8MMP3PSEN1PSEN2APH1B
SCHEMBL5717132 0.76 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12429270 0.73 MMP2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2197409 0.69 HSD11B1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5509169 0.69 AR (0.40) ALDH1A1
SCHEMBL5513575 0.69 AR (0.40) ALDH1A1

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 3 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-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 MMP8 4453/4885MMP3 2577/4885PSEN1 4/4885

“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.