SCHEMBL3355440

SCHEMBL3355440

CC(C)CC(NC(=O)Oc1ccccc1)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 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.39
TACR2 P21452 9/20 0.38
CTSK P43235 2/20 0.37
CAPN1 P07384 1/20 0.37
CAPN2 P17655 1/20 0.37
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
CTSS P25774 2/20 0.37
SIRT1 Q96EB6 2/20 0.36
CTSL P07711 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
FAAH O00519 1/20 0.36
DRD3 P35462 1/20 0.36
SIRT2 Q8IXJ6 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
SCHEMBL3356199 0.90 TACR2 (0.42) TACR2
SCHEMBL3361023 0.82 USP2 (0.36) TACR2HRH2HRH1
SCHEMBL3360405 0.82 SIRT2 (0.41) CTSKCAPN1CAPN2CTSSSIRT1
SCHEMBL3355433 0.78 ACKR3 (0.52) TACR2CAPN1CAPN2HRH2HRH1
SCHEMBL3355427 0.78 ACKR3 (0.52) TACR2CAPN1CAPN2HRH2HRH1
SCHEMBL27604380 0.71 SIGMAR1 (0.32)
SCHEMBL3356191 0.67 ACKR3 (0.51) TACR2CTSKHRH2HRH1CTSS
SCHEMBL3356195 0.67 ACKR3 (0.51) TACR2CTSKHRH2HRH1CTSS
SCHEMBL27586599 0.65 KDM4E (0.35)
SCHEMBL13496161 0.64 CAPN1 (0.55) CTSKCAPN1CAPN2CTSSSIRT1

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 UTS2R 1650/4885TACR2 2761/4885CTSK 244/4885

“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.