SCHEMBL734219

SCHEMBL734219

CN(CCCC(O)=S)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CA14 Q9ULX7 1/20 0.35
GBA1 P04062 1/20 0.33
METAP2 P50579 1/20 0.33
CTSK P43235 2/20 0.33
PDK2 Q15119 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BUB1 O43683 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL693386 0.86 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14GBA1
SCHEMBL6256081 0.82 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14GBA1
SCHEMBL9219474 0.82 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14GBA1
SCHEMBL23477345 0.81 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14GBA1
SCHEMBL1249634 0.81 EPHX2 (0.43) HDAC6HDAC1HDAC2CA14
SCHEMBL2344511 0.81 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14GBA1
SCHEMBL9227134 0.81 HDAC6 (0.46) HDAC6HDAC1HDAC2CA14GBA1
SCHEMBL24693051 0.80 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14GBA1
SCHEMBL8360181 0.79 EPHX2 (0.45) HDAC6HDAC1HDAC2
SCHEMBL23113130 0.79 EPHX2 (0.45) HDAC6HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114736219-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
CN-114751920-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
US-20240166666-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-05-23 US disclosed
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 CN disclosed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 US disclosed
CN-117865987-A Antitumor compounds 法马马有限公司 2024-04-12 CN disclosed
EP-4025253-B1 DRUG ANTIBODY CONJUGATES PHARMA MAR SA (ES) 2024-03-20 EP disclosed
EP-4101855-B9 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-01-03 EP disclosed
EP-3615544-B9 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-01-03 EP disclosed
EP-4101855-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2023-08-02 EP disclosed
WO-2008008442-A1 PREPARATION AND UTILITY OF HMG-COA REDUCTASE INHIBITORS AUSPEX PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20070155820-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
US-20070149622-A1 Deuterated venlafaxine derivatives formed by decyclization with formic acid; venlafaxine hydrochloride; pharmacokinetics; antiserotonine agents; drug abuse, drug dependence; monoamine neurotransmitters AUSPEX PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007064697-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2007-06-07 WO disclosed
WO-2007062119-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed
US-20070112031-A1 Substituted phenylpiperidines with serotoninergic activity and enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC. 2007-05-17 US disclosed
WO-2007041630-A1 DEUTERATED INHIBITORS OF GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2007-04-12 WO disclosed
US-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC. 2007-04-12 US disclosed
WO-2006041921-A2 PREPARATION AND USES OF RHODANINE DERIVATIVES AUSPEX PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed
WO-2005049582-A1 METHOD OF PREPARATION OF NOVEL NUCLEOSIDE ANALOGS AND USES AUSPEX PHARMACEUTICALS, INC. (US) 2005-06-02 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 (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-20070155820-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 HDAC6 1869/4885HDAC1 746/4885HDAC2 1770/4885
US-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties ATP4A, ATP6V1G1, ATP6V1E1 HDAC6 895/4885HDAC1 2041/4885HDAC2 1907/4885
US-20070149622-A1 Deuterated venlafaxine derivatives formed by decyclization with formic acid; venlafaxine hydrochloride; pharmacokinetics; antiserotonine agents; drug abuse, drug dependence; monoamine neurotransmitters SLC6A4, HTR4, OPRK1 HDAC6 811/4885HDAC1 482/4885HDAC2 1604/4885
US-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL HDAC6 214/4885HDAC1 1513/4885HDAC2 2264/4885
US-20240166666-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 HDAC6 327/4885HDAC1 676/4885HDAC2 1881/4885
US-20070112031-A1 Substituted phenylpiperidines with serotoninergic activity and enhanced therapeutic properties SLC6A4, HTR4, HTR5A HDAC6 1825/4885HDAC1 948/4885HDAC2 2267/4885

“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.