SCHEMBL18735705

SCHEMBL18735705

CNCCNC(=O)C[C@H](NC(=O)CCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
KIF11 P52732 4/20 0.38
FAAH O00519 2/20 0.37
EPHX2 P34913 4/20 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
SCHEMBL29455274 0.85 ITGB3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30093819 0.83 HDAC6 (0.41) HDAC1HDAC6KIF11FAAH
SCHEMBL13753519 0.82 GPR88 (0.37) HDAC6KIF11FAAHEPHX2
SCHEMBL29455258 0.80 ACE (0.43) HDAC1HDAC6KIF11FAAH
SCHEMBL22415062 0.80 PTPN1 (0.42) KIF11
SCHEMBL99144 0.77 HDAC6 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16330567 0.77 EPHX2 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12603470 0.76 KIF11 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30787952 0.76 ACE (0.44) KIF11
SCHEMBL9972410 0.75 ITGB3 (0.47) HDAC6KIF11

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-20170100490-A1 Prodrug Comprising a Drug Linker Conjugate ASCENDIS PHARMA A/S (DK) 2017-04-13 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-20170100490-A1 Prodrug Comprising a Drug Linker Conjugate H1-0, H1-3, H1-2 HDAC3 445/4885HDAC4 1085/4885HDAC1 437/4885

“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.