SCHEMBL12107731

SCHEMBL12107731

CSC1CC(=O)N(CCC(=O)NCCNC(=O)CC(C)CC(=O)NCCNC(=O)CCN2C(=O)CC(SC)C2=O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ FOLH1 Q04609 4/20 0.34
▸ ALDH1A1 P00352 6/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL18081560 0.90 ALDH1A1 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15725708 0.89 FOLH1 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12382220 0.88 FOLH1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2607947 0.88 FOLH1 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23900960 0.88 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20149122 0.87 LMNA (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14755921 0.86 ALDH1A1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18081559 0.86 ALDH1A1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16328730 0.86 ALDH1A1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12107740 0.86 FOLH1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180207286-A1 CONJUGATES OF A CHOLINESTERASE MOIETY AND A POLYMER NEKTAR THERAPEUTICS 2018-07-26 — — US disclosed
US-9347054-B2 Polymer factor IX moiety conjugates NEKTAR THERAPEUTICS (US) 2016-05-24 — — US disclosed
US-20140141483-A1 POLYMER FACTOR IX MOIETY CONJUGATES NEKTAR THERAPEUTICS (US) 2014-05-22 — — US disclosed
US-8580919-B2 Polymer conjugates of GLP-1 NEKTAR THERAPEUTICS (US) 2013-11-12 — — US disclosed
US-20110269713-A1 BRYOSTATIN ANALOGUES AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2011-11-03 — — US disclosed
US-20110206633-A1 POLYMER CONJUGATES OF CD-NP PEPTIDES Nektar Therapectics (US) 2011-08-25 — — US disclosed
US-20110165112-A1 POLYMER CONJUGATES OF C-PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-07 — — US disclosed
US-20100249033-A1 POLYMER FACTOR IX MOIETY CONJUGATES NEKTAR THERAPEUTICS (US) 2010-09-30 — — US disclosed
US-20100130428-A1 POLYMER FACTOR IX MOIETY CONJUGATES NEKTAR THERAPEUTICS (US) 2010-05-27 — — 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 (6 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-20110206633-A1 POLYMER CONJUGATES OF CD-NP PEPTIDES CD63, CLSPN, LNPEP HDAC3 3693/4885HDAC4 3886/4885HDAC1 4371/4885
US-20110165112-A1 POLYMER CONJUGATES OF C-PEPTIDES IAPP, GCG, INSR HDAC3 3040/4885HDAC4 4369/4885HDAC1 4601/4885
US-20180207286-A1 CONJUGATES OF A CHOLINESTERASE MOIETY AND A POLYMER BCHE, ACHE, DNPEP HDAC3 1091/4885HDAC4 2025/4885HDAC1 1029/4885
US-20110269713-A1 BRYOSTATIN ANALOGUES AND METHODS OF MAKING AND USING THEREOF PRKAR2B, PRKAR2A, PRKCH HDAC3 1114/4885HDAC4 462/4885HDAC1 746/4885
US-20100249033-A1 POLYMER FACTOR IX MOIETY CONJUGATES F9, F13A1, F8 HDAC3 1558/4885HDAC4 3492/4885HDAC1 2701/4885
US-20100130428-A1 POLYMER FACTOR IX MOIETY CONJUGATES F9, F13A1, F8 HDAC3 1558/4885HDAC4 3492/4885HDAC1 2701/4885

“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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