SCHEMBL3578759

SCHEMBL3578759

COC(=O)CCCCCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC3 O15379 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
CTSK P43235 5/20 0.38
PPARA Q07869 2/20 0.38
CTSS P25774 2/20 0.37
ACE P12821 1/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
PPARG P37231 1/20 0.37
MAPT P10636 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
SCHEMBL3578761 1.00 ATM (0.40) ATMHDAC4HDAC1HDAC3HDAC7
SCHEMBL31316318 0.92 ATM (0.42) ATMCTSKPPARACTSSACE
SCHEMBL15434331 0.88 ATM (0.42) ATMHDAC4HDAC1HDAC3HDAC7
SCHEMBL30096598 0.86 ATM (0.43) ATMHDAC4HDAC1CTSKPPARA
SCHEMBL28535602 0.86 ATM (0.43) ATMHDAC4HDAC1CTSKPPARA
SCHEMBL15434434 0.86 MAPT (0.48) ATMCTSKMAPT
SCHEMBL29071905 0.85 ATM (0.44) ATMCTSKPPARACTSSACE
SCHEMBL29071904 0.85 ATM (0.44) ATMCTSKPPARACTSSACE
SCHEMBL13345437 0.85 ATM (0.44) ATMCTSKPPARACTSSACE
SCHEMBL20514702 0.85 MAPT (0.45) ATMCTSKCTSSMAPT

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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS HDAC3, HCCS, CCNH ATM 3724/4885HDAC4 26/4885HDAC1 5/4885

“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.