SCHEMBL7716003

SCHEMBL7716003

C[C@H]1C[C@@]2(C=CS(=O)(=O)N2c2cccc(F)c2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.44
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
SIGMAR1 Q99720 4/20 0.39
TMEM97 Q5BJF2 3/20 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
SCHEMBL2555754 1.00 BACE1 (0.44) BACE1PDK1PDK2PDK3PDK4
SCHEMBL15010796 0.86 BACE1 (0.42) BACE1
SCHEMBL14686411 0.86 BACE1 (0.42) BACE1
SCHEMBL2552556 0.82 BACE1 (0.43) BACE1PDK1PDK2PDK3PDK4
SCHEMBL1171020 0.82 BACE1 (0.63) BACE1
SCHEMBL1430421 0.82 BACE1 (0.63) BACE1
SCHEMBL7713454 0.82 BACE1 (0.43) BACE1PDK1PDK2PDK3PDK4
SCHEMBL2434478 0.82 PDK1 (0.40) BACE1PDK1PDK2PDK3PDK4
SCHEMBL2557967 0.81 BACE1 (0.42) BACE1PDK1PDK2PDK3PDK4
SCHEMBL15024588 0.81 BACE1 (0.42) BACE1PDK1PDK2PDK3PDK4

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
US-20130150376-A1 Novel Sultam Compounds PFIZER INC. (US) 2013-06-13 US disclosed
US-20130150376-A1 Novel Sultam Compounds PFIZER INC. (US) 2013-06-13 US disclosed
WO-2011125006-A2 NOVEL SULTAM COMPOUNDS PFIZER INC. (US) 2011-10-13 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-20130150376-A1 Novel Sultam Compounds SULT2A1, SULT1A1, SULT1E1 BACE1 2145/4885PDK1 566/4885PDK2 556/4885

“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.