SCHEMBL2200364

SCHEMBL2200364

O=C1CC(C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.47
MMP3 P08254 2/20 0.47
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PSEN1 P49768 5/20 0.44
PSEN2 P49810 5/20 0.44
APH1B Q8WW43 5/20 0.44
NCSTN Q92542 5/20 0.44
APH1A Q96BI3 5/20 0.44
PSENEN Q9NZ42 5/20 0.44
BRD4 O60885 2/20 0.43
BRD2 P25440 1/20 0.43
EPHX2 P34913 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MMP2 P08253 1/20 0.41
ANPEP P15144 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
TRPV4 Q9HBA0 2/20 0.41

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
SCHEMBL2200359 1.00 MMP8 (0.47) MMP8MMP3GAAMEN1KMT2A
SCHEMBL8105038 0.81 MMP8 (0.46) MMP8MMP3GAAMEN1KMT2A
SCHEMBL2199891 0.77 MMP8 (0.44) MMP8MMP3MEN1KMT2APSEN1
SCHEMBL2199884 0.77 MMP8 (0.44) MMP8MMP3MEN1KMT2APSEN1
SCHEMBL12510251 0.75 PSEN1 (0.54) GAAMEN1KMT2APSEN1PSEN2
SCHEMBL2196648 0.75 PSEN1 (0.54) GAAMEN1KMT2APSEN1PSEN2
SCHEMBL12510435 0.71 DDB1 (0.38) GAAPSEN1PSEN2APH1BNCSTN
SCHEMBL12429268 0.71 MMP2 (0.47) MMP2ANPEP
SCHEMBL3637211 0.70 ALDH1A1 (0.55) GAAMEN1KMT2AEPHX2ALDH1A1
SCHEMBL12655864 0.69 KMT2A (0.63) GAAMEN1KMT2AEPHX2ALDH1A1

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 2577/4885GAA 123/4885

“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.