SCHEMBL16659348

SCHEMBL16659348

CNC(CCCCN)C(=O)OCOC(=O)C(CCCCN)NC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)OCOC(=O)C(CCCNC(=N)N)NC(=O)CC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 2/20 0.36
▸ NMT1 P30419 2/20 0.36
▸ NPY4R P50391 7/20 0.36
▸ NPY5R Q15761 5/20 0.36
▸ NPY1R P25929 5/20 0.36
▸ NPY2R P49146 2/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ TLR2 O60603 1/20 0.34
▸ SLC6A5 Q9Y345 1/20 0.33
▸ FURIN P09958 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL13950273 0.92 NPY4R (0.35) NPY4RNPY5RNPY1RNPY2RKMT2A
SCHEMBL16659354 0.88 NPY4R (0.33) NPY4RNPY5RNPY1RNPY2R
SCHEMBL27846680 0.79 NPY4R (0.42) NPY4RNPY5RNPY1RNPY2R
SCHEMBL16263595 0.76 NPY4R (0.48) NMT2NMT1NPY4RNPY5RNPY1R
SCHEMBL8737919 0.74 L3MBTL1 (0.31) —
SCHEMBL4314216 0.74 SIRT6 (0.52) NPY4RNPY5RNPY1RNPY2RSIRT6
SCHEMBL8733027 0.74 GNAI3 (0.39) NMT2NMT1NPY4RNPY5RNPY1R
SCHEMBL3421647 0.74 GNAI3 (0.41) NPY4RNPY5RNPY1RNPY2RSIRT6
SCHEMBL27554606 0.72 CAD (0.39) NPY4RNPY5RNPY1RNPY2RKMT2A
SCHEMBL8019370 0.72 CAD (0.39) NPY4RNPY5RNPY1RNPY2RKMT2A

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-20150111812-A1 POLYSACCHARIDE-BASED HYDROGELS AND HYBRID HYDROGELS AND PRECURSORS THEREOF, METHODS OF MAKING SAME, AND USES THEREOF CORNELL UNIVERSITY 2015-04-23 — — 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-20150111812-A1 POLYSACCHARIDE-BASED HYDROGELS AND HYBRID HYDROGELS AND PRECURSORS THEREOF, METHODS OF MAKING SAME, AND USES THEREOF CD44, CHIA, ARG1 NMT2 810/4885NMT1 701/4885NPY4R 791/4885

“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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