SCHEMBL3360405

SCHEMBL3360405

CC(NC(=O)OCc1ccccc1)C(=O)NCCCN1CCN(C(=O)O)CC(C(C)(C)C)N(C(=O)O)C(C(C)(C)C)C(C(C)(C)C)N(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.41
SIRT1 Q96EB6 2/20 0.41
SIRT3 Q9NTG7 1/20 0.41
CTSK P43235 3/20 0.41
CYP1A2 P05177 1/20 0.40
CAPN1 P07384 1/20 0.39
CAPN2 P17655 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
PREP P48147 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CTSS P25774 2/20 0.37
CYP3A4 P08684 2/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL3356199 0.81 TACR2 (0.42)
SCHEMBL3361023 0.78 USP2 (0.36)
SCHEMBL3360397 0.78 ACKR3 (0.53) CTSKCYP1A2CAPN1CAPN2SIGMAR1
SCHEMBL3360393 0.78 ACKR3 (0.53) CTSKCYP1A2CAPN1CAPN2SIGMAR1
SCHEMBL9136357 0.68 CTSK (0.62) CTSKCYP1A2CTSSCTSB
SCHEMBL12294550 0.68 CYP2D6 (0.62) CTSKCYP1A2CAPN1CAPN2
SCHEMBL21165065 0.67 CYP1A2 (0.51) SIRT2SIRT1SIRT3CTSKCYP1A2
SCHEMBL6220780 0.67 SIGMAR1 (0.61) SIGMAR1
SCHEMBL22055134 0.67 ALDH1A1 (0.49) CAPN1CAPN2SIGMAR1
SCHEMBL30750666 0.67 SIGMAR1 (0.61) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100036122-A1 CLEAVAGE AGENT SELECTIVELY ACTING ON SOLUBLE ASSEMBLY OF AMYLOIDOGENIC PEPTIDE OR PROTEIN SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KP) 2010-02-11 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-20100036122-A1 CLEAVAGE AGENT SELECTIVELY ACTING ON SOLUBLE ASSEMBLY OF AMYLOIDOGENIC PEPTIDE OR PROTEIN APP, BACE1, IAPP SIRT2 4471/4885SIRT1 4378/4885SIRT3 4680/4885

“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.