SCHEMBL13623805

SCHEMBL13623805

CCOC(=O)NCCCCC(NC(=O)CCO)C(=O)NCCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 4/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ SIRT1 Q96EB6 2/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ MEF2D Q14814 1/20 0.40
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ GLP1R P43220 8/20 0.38
▸ AKT1 P31749 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 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
SCHEMBL12692598 0.93 HDAC4 (0.41) SIRT2HDAC4SIRT1EP300MEF2D
SCHEMBL277647 0.92 SIRT2 (0.45) SIRT2HDAC4SIRT1EP300MEF2D
SCHEMBL13339490 0.87 SIRT2 (0.41) SIRT2HDAC4SIRT1EP300MEF2D
SCHEMBL12389311 0.85 SIRT2 (0.42) SIRT2SIRT1AKT1SIRT3CPB1
SCHEMBL12692606 0.85 SIRT2 (0.36) SIRT2HDAC4SIRT1EP300MEF2D
SCHEMBL277489 0.84 SIRT2 (0.41) SIRT2HDAC4SIRT1EP300MEF2D
SCHEMBL12230361 0.84 SIRT2 (0.39) SIRT2SIRT1GLP1RAKT1SIRT3
SCHEMBL11964062 0.83 AKT1 (0.42) SIRT2SIRT1GLP1RAKT1SIRT3
SCHEMBL13531987 0.83 SIRT2 (0.41) SIRT2HDAC4SIRT1EP300MEF2D
SCHEMBL12148796 0.82 AKT1 (0.51) SIRT2GLP1RAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 — — US disclosed
US-20090005297-A1 Aprotinin Variants BAYER HEALTHCARE AG (DE) 2009-01-01 — — 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 (2 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 SIRT2 260/4885HDAC4 504/4885SIRT1 429/4885
US-20090005297-A1 Aprotinin Variants PRSS1, SPINT2, SERPINB1 SIRT2 3050/4885HDAC4 2366/4885SIRT1 2632/4885

“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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