SCHEMBL3446003

SCHEMBL3446003

CN(c1cc(CCC2CC2)cc(C(=O)O)c1)S(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.55
▸ CTSD P07339 2/20 0.36
▸ BACE2 Q9Y5Z0 2/20 0.36
▸ APP P05067 1/20 0.36
▸ CYP3A4 P08684 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
SCHEMBL8155821 0.79 BACE1 (0.41) BACE1
SCHEMBL28133767 0.79 GPR84 (0.38) —
SCHEMBL475723 0.77 LCK (0.45) BACE1
SCHEMBL4751790 0.75 BACE1 (0.36) BACE1
SCHEMBL27975645 0.73 DAO (0.45) —
SCHEMBL14811147 0.71 MRGPRX4 (0.40) —
SCHEMBL7864565 0.71 LCK (0.40) BACE1
SCHEMBL28138572 0.71 DAO (0.48) —
SCHEMBL28139210 0.71 CYP2C19 (0.43) —
SCHEMBL4749584 0.71 BACE1 (0.44) BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816387-B2 β secretase inhibitor DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-10-19 — — US disclosed
US-7816387-B2 β secretase inhibitor DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-10-19 — — US disclosed
US-7816387-B2 β secretase inhibitor DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-10-19 — — US disclosed
US-20090198056-A1 Beta secretase inhibitor KISO, YOSHIAKI (JP) 2009-08-06 — — US disclosed
US-20090198056-A1 Beta secretase inhibitor KISO, YOSHIAKI (JP) 2009-08-06 — — US disclosed
US-20090198056-A1 Beta secretase inhibitor KISO, YOSHIAKI (JP) 2009-08-06 — — US disclosed
EP-1942101-A1 SECRETASE INHIBITOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-09 — — EP 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-20090198056-A1 Beta secretase inhibitor BACE1, BACE2, APP BACE1 1/4885CTSD 75/4885BACE2 2/4885

“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.

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