SCHEMBL3347456

SCHEMBL3347456

CCCC1CCCCN1C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CNCc2cccc(C)c2)nn1CC

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 14/20 0.42
BACE1 P56817 17/20 0.41
BACE2 Q9Y5Z0 11/20 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
SCHEMBL3347445 1.00 CTSD (0.42) CTSDBACE1BACE2
SCHEMBL3344135 0.94 BACE1 (0.44) CTSDBACE1BACE2
SCHEMBL3344138 0.94 BACE1 (0.44) CTSDBACE1BACE2
SCHEMBL3345254 0.93 CTSD (0.41) CTSDBACE1BACE2
SCHEMBL3345259 0.93 CTSD (0.41) CTSDBACE1BACE2
SCHEMBL3343905 0.91 CTSD (0.52) CTSDBACE1BACE2
SCHEMBL3343896 0.91 CTSD (0.52) CTSDBACE1BACE2
SCHEMBL3345599 0.91 BACE1 (0.40) CTSDBACE1BACE2
SCHEMBL3345603 0.91 BACE1 (0.40) CTSDBACE1BACE2
SCHEMBL3341431 0.91 BACE1 (0.52) CTSDBACE1BACE2

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-2185525-B1 PYRAZOLE 3,5 CARBOXYLATE DERIVATIVES PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2016-12-14 EP disclosed
US-9102628-B2 Derivatives of pyrazole 3,5-carboxylates, their preparation and their application in therapeutics SANOFI (FR) 2015-08-11 US disclosed
US-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-24 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-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS CYP3A5, ADH5, AVPR2 CTSD 2356/4885BACE1 3223/4885BACE2 4244/4885

“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.