SCHEMBL10167189

SCHEMBL10167189

COC(=O)NCCCCC(NC(=O)OC)C(=O)NC(CC(=O)NCCCN1C(=O)C=CC1=O)CC(=O)NCCCN1C(=O)C=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.37
▸ SIRT2 Q8IXJ6 4/20 0.35
▸ SIRT1 Q96EB6 3/20 0.35
▸ OPRM1 P35372 2/20 0.34
▸ OPRD1 P41143 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ PTGS1 P23219 4/20 0.32
▸ PTGS2 P35354 4/20 0.32
▸ EPHX1 P07099 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
SCHEMBL14542727 0.93 AKT1 (0.36) AKT1SIRT2SIRT1
SCHEMBL10026185 0.89 AKT1 (0.39) AKT1SIRT2SIRT1OPRM1OPRD1
SCHEMBL11964062 0.83 AKT1 (0.42) AKT1SIRT2SIRT1
SCHEMBL277489 0.83 SIRT2 (0.41) AKT1SIRT2SIRT1
SCHEMBL14755924 0.82 AKT1 (0.41) AKT1SIRT2SIRT1
SCHEMBL10066896 0.81 CPB1 (0.32) SIRT2SIRT1
SCHEMBL14016183 0.80 AKT1 (0.40) AKT1SIRT2SIRT1EPHX1
SCHEMBL12692606 0.80 SIRT2 (0.36) AKT1SIRT2SIRT1
SCHEMBL825245 0.78 EPHX1 (0.39) AKT1OPRM1OPRD1OPRK1PTGS1
SCHEMBL14753623 0.78 SIRT2 (0.38) AKT1SIRT2SIRT1

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
US-8383380-B2 Segmented polymers and their conjugates NEKTAR THERAPEUTICS (US) 2013-02-26 — — US disclosed
US-20120027714-A1 Segmented Polymers and Their Conjugates NEKTAR THERAPEUTICS (US) 2012-02-02 — — US disclosed
US-8084572-B2 Segmented polymers and their conjugates NEKTAR THERAPEUTICS (US) 2011-12-27 — — 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-20120027714-A1 Segmented Polymers and Their Conjugates EPCAM, CD44, ECPAS AKT1 3314/4885SIRT2 4437/4885SIRT1 4051/4885

“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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