SCHEMBL5125020

SCHEMBL5125020

CCC(=O)CCCCC[C@H](NC(=O)CS(C)(=O)=O)C(=O)Nc1cccc(C(C)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TSHR P16473 1/20 0.59
HDAC4 P56524 9/20 0.48
MEF2D Q14814 5/20 0.48
HPGD P15428 2/20 0.43
HDAC1 Q13547 7/20 0.43
HDAC3 O15379 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PLAU P00749 1/20 0.42
HPN P05981 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28876031 0.86 ALDH1A1 (0.50) ALDH1A1TSHRHDAC4MEF2DHPGD
SCHEMBL5124523 0.86 ALDH1A1 (0.50) ALDH1A1TSHRHDAC4MEF2DHPGD
SCHEMBL5118978 0.85 ALDH1A1 (0.49) ALDH1A1TSHRHDAC4MEF2DHPGD
SCHEMBL5139663 0.85 ALDH1A1 (0.49) ALDH1A1TSHRHDAC4MEF2DHPGD
SCHEMBL27695238 0.85 ALDH1A1 (0.42) ALDH1A1TSHRHPGDMEN1KMT2A
SCHEMBL12488393 0.84 HDAC4 (0.50) ALDH1A1TSHRHDAC4MEF2DHPGD
SCHEMBL5119548 0.84 HDAC4 (0.50) ALDH1A1TSHRHDAC4MEF2DHPGD
SCHEMBL5121248 0.84 ALDH1A1 (0.51) ALDH1A1TSHRHDAC4MEF2DHDAC1
SCHEMBL5118072 0.84 RAB9A (0.47) ALDH1A1HDAC4MEF2DHPGDHDAC1
SCHEMBL5125653 0.83 HDAC4 (0.54) HDAC4MEF2DHDAC1HDAC3HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 US claimed
US-20230094176-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENT AB (SE) 2023-03-30 US disclosed
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB (SE) 2021-03-04 US disclosed
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENT AB (SE) 2017-01-26 US disclosed
US-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 US disclosed
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 US disclosed
EP-1768955-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-04 EP disclosed
WO-2006005941-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 2006-01-19 WO 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 (5 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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 ALDH1A1 3068/4885TSHR 3524/4885HDAC4 7/4885
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 ALDH1A1 3068/4885TSHR 3524/4885HDAC4 7/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 ALDH1A1 286/4885TSHR 1616/4885HDAC4 3/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 ALDH1A1 3068/4885TSHR 3524/4885HDAC4 7/4885
US-20230094176-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC2, HDAC1 ALDH1A1 2984/4885TSHR 3721/4885HDAC4 7/4885

“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.