SCHEMBL20512995

SCHEMBL20512995

CCOC(=O)CCCCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
SIRT2 Q8IXJ6 9/20 0.43
SIRT1 Q96EB6 6/20 0.43
FURIN P09958 2/20 0.42
NPY5R Q15761 4/20 0.39
NPY1R P25929 3/20 0.39
NPY4R P50391 3/20 0.39
NPY2R P49146 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC4 P56524 1/20 0.39
MEF2D Q14814 1/20 0.39
SIRT3 Q9NTG7 3/20 0.38

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
SCHEMBL20512998 1.00 HTT (0.45) HTTSIRT2SIRT1FURINNPY5R
SCHEMBL20513040 0.93 HTT (0.44) HTTSIRT2SIRT1FURINNPY5R
SCHEMBL20513041 0.93 HTT (0.44) HTTSIRT2SIRT1FURINNPY5R
SCHEMBL26223125 0.90 FURIN (0.42) HTTSIRT2SIRT1FURINNPY5R
SCHEMBL21607790 0.90 FURIN (0.42) HTTSIRT2SIRT1FURINNPY5R
SCHEMBL23355149 0.90 CTSL (0.42) HTTSIRT2SIRT1FURINNPY5R
SCHEMBL14978855 0.90 NMT2 (0.45) FURINNPY5RNPY1RNPY4RNPY2R
SCHEMBL15692124 0.90 NMT2 (0.45) FURINNPY5RNPY1RNPY4RNPY2R
SCHEMBL20839656 0.89 NPY5R (0.42) HTTFURINNPY5RNPY1RNPY4R
SCHEMBL24270749 0.88 FURIN (0.43) HTTSIRT2SIRT1FURIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210128740-A1 HDAC INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCs) AND USE IN THERAPY ALFASIGMA S.P.A. (IT) 2021-05-06 US disclosed
US-20210128740-A1 HDAC INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCs) AND USE IN THERAPY ALFASIGMA S.P.A. (IT) 2021-05-06 US disclosed
EP-3600444-A1 HDAC INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCs) AND USE IN THERAPY Alfasigma S.p.A. (IT) 2020-02-05 EP disclosed
WO-2018178060-A1 HDAC INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCs) AND USE IN THERAPY ALFASIGMA S.P.A. (IT) 2018-10-04 WO disclosed
EP-3381474-A1 HISTONE DEACETYLASE INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCS) AND USE IN THERAPY Alfasigma S.p.A. (IT) 2018-10-03 EP 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-20210128740-A1 HDAC INHIBITORS-BASED ANTIBODY DRUG CONJUGATES (ADCs) AND USE IN THERAPY ERBB3, HDAC6, ERBB2 HTT 685/4885SIRT2 209/4885SIRT1 182/4885

“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.