SCHEMBL16174189

SCHEMBL16174189

CCOC(=O)NCCCC[C@H](NC)C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 13/20 0.42
▸ EPHX1 P07099 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 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
▸ FOLH1 Q04609 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL11955678 0.88 SIRT2 (0.42) ACHEEPHX1FOLH1SIRT6SIRT1
SCHEMBL16174170 0.85 ACHE (0.40) ACHEEPHX1HDAC3HDAC4HDAC1
SCHEMBL23839866 0.82 TGM2 (0.36) ACHEFOLH1
SCHEMBL23839865 0.82 TGM2 (0.36) ACHEFOLH1
SCHEMBL14278875 0.82 FOLH1 (0.43) FOLH1SIRT6SIRT1
SCHEMBL14932592 0.80 KDM4E (0.56) FOLH1SIRT6SIRT1
SCHEMBL14932573 0.80 KDM4E (0.56) FOLH1SIRT6SIRT1
SCHEMBL25176590 0.79 KMT2A (0.45) ACHESIRT1
SCHEMBL25176589 0.79 KMT2A (0.45) ACHESIRT1
SCHEMBL7570219 0.79 ACHE (0.61) ACHEEPHX1HDAC3HDAC4HDAC1

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-20140309265-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS (US) 2014-10-16 — — 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-20140309265-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS API5, BIRC5, BAD ACHE 3607/4885EPHX1 3816/4885HDAC3 345/4885

“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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