SCHEMBL414617

SCHEMBL414617

O=C(O)CCCSc1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
RAB9A P51151 3/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
KDM4E B2RXH2 4/20 0.55
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.53
TEAD1 P28347 1/20 0.51
YAP1 P46937 1/20 0.51

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
SCHEMBL4427048 0.95 HDAC3 (0.67) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4265215 0.93 HDAC1 (0.69) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28548058 0.93 HDAC1 (0.69) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL27191704 0.89 HPGD (0.57) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10416608 0.87 ALDH1A1 (0.54) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL660739 0.85 PKM (0.62) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9813847 0.85 HDAC3 (0.56) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10417655 0.84 HDAC3 (0.55) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7078809 0.84 HPGD (0.53) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL416482 0.83 ALDH1A1 (0.72) ALDH1A1HDAC3HDAC4HDAC1HDAC7

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP claimed
EP-2046736-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2009-04-15 EP claimed
WO-2008014430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-01-31 WO claimed
US-4124723-A USING A (HALOPHENYL)THIOALKANOIC ACID OR CORRESPONDING ALCOHOLS OR ESTERS CARTER-WALLACE, INC. (US) 1978-11-07 US claimed
CN-112624997-A Preparation method and application of 3-amino-2-oxazolidinone derivatives 中国人民解放军军事科学院军事医学研究院 2021-04-09 CN disclosed
US-20200207691-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury UNIVERSITY OF PITTSBURGH - OF T 2020-07-02 US disclosed
CN-108640901-B Thiochroman-4-ketone thiosemicarbazone compound and preparation method and application thereof 岭南师范学院 2020-04-28 CN disclosed
US-10626071-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2020-04-21 US disclosed
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP disclosed
US-10233201-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury University of Pittsburg—Of the Commonwealth System of Higher Education (US) 2019-03-19 US disclosed
US-10160705-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2018-12-25 US disclosed
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2018-11-22 US disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
EP-2046736-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2009-04-15 EP disclosed
WO-2008014430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-01-31 WO disclosed
WO-2008014430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-01-31 WO disclosed
US-4124723-A USING A (HALOPHENYL)THIOALKANOIC ACID OR CORRESPONDING ALCOHOLS OR ESTERS CARTER-WALLACE, INC. (US) 1978-11-07 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-10233201-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury HDAC1, HDAC9, HDAC11 ALDH1A1 351/4885HDAC3 9/4885HDAC4 5/4885
US-10160705-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury HDAC1, HDAC9, HDAC11 ALDH1A1 351/4885HDAC3 9/4885HDAC4 5/4885
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS ALDH1A1 1627/4885HDAC3 742/4885HDAC4 1986/4885
US-10626071-B2 Class of HDAC inhibitors expands the renal progenitor cells population and improves the rate of recovery from acute kidney injury HDAC1, HDAC9, HDAC11 ALDH1A1 351/4885HDAC3 9/4885HDAC4 5/4885
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS ALDH1A1 1627/4885HDAC3 742/4885HDAC4 1986/4885
US-20200207691-A1 Class of HDAC Inhibitors Expands the Renal Progenitor Cells Population and Improves the Rate of Recovery from Acute Kidney Injury HDAC1, HDAC9, HDAC11 ALDH1A1 351/4885HDAC3 9/4885HDAC4 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.