SCHEMBL13311706

SCHEMBL13311706

CCOC(=O)NCCCCC(NC(=O)OCC)C(=O)NC(CC(=O)NCCNC(=O)CCN1C(=O)CC(SC)C1=O)CC(=O)NCCNC(=O)CCN1C(=O)CC(SF)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 4/20 0.34
▸ SIRT1 Q96EB6 2/20 0.34
▸ FOLH1 Q04609 3/20 0.33
▸ CASP3 P42574 2/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP2 P42575 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ CASP8 Q14790 1/20 0.32
▸ OPRL1 P41146 3/20 0.32
▸ HDAC4 P56524 2/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ MEF2D Q14814 1/20 0.32
▸ SIRT3 Q9NTG7 1/20 0.31
▸ KLK7 P49862 1/20 0.31
▸ KLK5 Q9Y337 1/20 0.31
▸ ACE P12821 1/20 0.31
▸ OPRK1 P41145 2/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31

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
SCHEMBL13339580 0.97 SIRT2 (0.36) SIRT2SIRT1FOLH1CASP3CASP1
SCHEMBL277717 0.96 SIRT2 (0.35) SIRT2SIRT1FOLH1CASP3CASP1
SCHEMBL12692608 0.92 FOLH1 (0.36) SIRT2SIRT1FOLH1OPRL1HDAC4
SCHEMBL13311697 0.90 SIRT2 (0.41) SIRT2SIRT1FOLH1HDAC4EP300
SCHEMBL277487 0.89 SIRT2 (0.40) SIRT2SIRT1FOLH1HDAC4EP300
SCHEMBL16441086 0.89 FOLH1 (0.32) SIRT2SIRT1FOLH1OPRK1
SCHEMBL14753625 0.89 FOLH1 (0.34) SIRT2SIRT1FOLH1OPRL1HDAC4
SCHEMBL12417377 0.88 FOLH1 (0.32) FOLH1HDAC4HDAC3HDAC1HDAC7
SCHEMBL12417528 0.88 FOLH1 (0.33) SIRT2SIRT1FOLH1HDAC4EP300
SCHEMBL12419152 0.87 FOLH1 (0.33) SIRT2SIRT1FOLH1CASP3CASP1

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-20100137511-A1 POLYMER FACTOR IX MOIETY CONJUGATES NEKTAR THERAPEUTICS (US) 2010-06-03 — — 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-20100137511-A1 POLYMER FACTOR IX MOIETY CONJUGATES F9, F13A1, F8 SIRT2 4162/4885SIRT1 3966/4885FOLH1 131/4885

“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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