SCHEMBL3479461

SCHEMBL3479461

C[C@@H]1C[C@@]2(CCN1Cc1ccccc1)C(=O)NC(=O)N2c1cc(F)ccc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.40
PTGS2 P35354 14/20 0.38
PTGS1 P23219 5/20 0.38
SIGMAR1 Q99720 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
SCHEMBL3479460 1.00 BACE1 (0.40) BACE1PTGS2PTGS1SIGMAR1
SCHEMBL2819803 0.86 PTGS2 (0.38) BACE1PTGS2PTGS1SIGMAR1
SCHEMBL2820113 0.83 PTGS2 (0.36) BACE1PTGS2PTGS1SIGMAR1
SCHEMBL3479542 0.82 BACE1 (0.45) BACE1SIGMAR1
SCHEMBL13031031 0.82 BACE1 (0.45) BACE1SIGMAR1
SCHEMBL2818277 0.80 PTGS2 (0.35) BACE1PTGS2PTGS1SIGMAR1
SCHEMBL3479560 0.78 MCHR1 (0.43) BACE1SIGMAR1
SCHEMBL8179365 0.77 PTGS2 (0.41) BACE1PTGS2PTGS1SIGMAR1
SCHEMBL3479445 0.77 BACE1 (0.58) BACE1
SCHEMBL3479511 0.77 BACE1 (0.58) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US claimed
US-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease MERCK & CO., INC. (US) 2010-11-25 US disclosed
EP-2063889-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2009-06-03 EP disclosed
WO-2008030412-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2008-03-13 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-20100298342-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's Disease BACE1, APP, PSEN1 BACE1 1/4885PTGS2 1739/4885PTGS1 996/4885

“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.