SCHEMBL329636

SCHEMBL329636

O=C(O)CCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
KIF11 P52732 17/20 0.53
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL3087541 0.95 KIF11 (0.52) ALDH1A1KIF11HDAC3MAPK1ADRA1A
SCHEMBL2634426 0.93 KIF11 (0.50) ALDH1A1KIF11HDAC3MAPK1ADRA1A
SCHEMBL15144366 0.93 KIF11 (0.50) ALDH1A1KIF11HDAC3MAPK1ADRA1A
SCHEMBL27148055 0.93 KIF11 (0.50) ALDH1A1KIF11HDAC3MAPK1ADRA1A
SCHEMBL34262 0.93 KIF11 (0.50) ALDH1A1KIF11HDAC3MAPK1ADRA1A
SCHEMBL28487494 0.93 KIF11 (0.50) ALDH1A1KIF11HDAC3MAPK1ADRA1A
SCHEMBL28482917 0.93 KIF11 (0.50) ALDH1A1KIF11HDAC3MAPK1ADRA1A
SCHEMBL18670133 0.93 KIF11 (0.50) ALDH1A1KIF11HDAC3MAPK1ADRA1A
SCHEMBL3792783 0.93 KIF11 (0.50) ALDH1A1KIF11HDAC3MAPK1ADRA1A
SCHEMBL34785 0.89 KIF11 (0.57) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111793106-A Polypeptide helix conformation stabilizing method 安徽大学 2020-10-20 CN claimed
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-21 US disclosed
US-11661398-B2 Cellular transport system for transferring a sulfonic acid construct carrying a cargo into the cytoplasm of a cell Scientist of Fortune, S.A. (LU) 2023-05-30 US disclosed
US-20220331316-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2022-10-20 US disclosed
EP-3901159-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2021-10-27 EP disclosed
CN-106999479-B Heteroaryl compounds useful as inhibitors of SUMO activating enzyme 米伦纽姆医药公司 2021-07-16 CN disclosed
EP-3517112-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2021-04-07 EP disclosed
US-20210009513-A1 CELLULAR TRANSPORT SYSTEM FOR TRANSFERRING A SULFONIC ACID CONSTRUCT CARRYING A CARGO INTO THE CYTOPLASM OF A CELL Scientist of Fortune, S.A. (LU) 2021-01-14 US disclosed
CN-111793106-A Polypeptide helix conformation stabilizing method 安徽大学 2020-10-20 CN disclosed
US-10780090-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed
EP-1988911-A2 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS The Board Of Trustees Of The University Of the Leland Stanford Junior University (US) 2008-11-12 EP disclosed
WO-2008069824-A2 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-06-12 WO disclosed
US-7291673-B2 Conjugate addition reactions for the controlled delivery of pharmaceutically active compounds EIDGENOSSICHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2007-11-06 US disclosed
EP-1292709-A4 CONJUGATE ADDITION REACTIONS FOR THE CONTROLLED DELIVERY OF PHARMACEUTICALLY ACTIVE COMPOUNDS EIDGENOESS TECH HOCHSCHULE (CH) 2004-09-22 EP disclosed
US-20030220245-A1 Conjugate addition reactions for the controlled delivery of pharmaceutical active compounds EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2003-11-27 US disclosed
EP-1292709-A1 CONJUGATE ADDITION REACTIONS FOR THE CONTROLLED DELIVERY OF PHARMACEUTICALLY ACTIVE COMPOUNDS Eidgenössische Technische Hochschule Zürich (CH) 2003-03-19 EP disclosed
EP-1200131-A2 COMPOSITIONS AND METHODS FOR TARGETED ENZYMATIC RELEASE OF CELL REGULATORY COMPOUNDS Marker Gene Technologies, Inc. (US) 2002-05-02 EP disclosed
WO-2001092584-A1 CONJUGATE ADDITION REACTIONS FOR THE CONTROLLED DELIVERY OF PHARMACEUTICALLY ACTIVE COMPOUNDS EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2001-12-06 WO disclosed
WO-2001002020-A2 COMPOSITIONS AND METHODS FOR TARGETED ENZYMATIC RELEASE OF CELL REGULATORY COMPOUNDS MARKER GENE TECHNOLOGIES, INC. (US) 2001-01-11 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-11661398-B2 Cellular transport system for transferring a sulfonic acid construct carrying a cargo into the cytoplasm of a cell GOT1, GGCT, TGM2 ALDH1A1 1289/4885KIF11 2263/4885HDAC3 3164/4885
US-20230293522-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 ALDH1A1 1512/4885KIF11 4157/4885HDAC3 298/4885
US-20210009513-A1 CELLULAR TRANSPORT SYSTEM FOR TRANSFERRING A SULFONIC ACID CONSTRUCT CARRYING A CARGO INTO THE CYTOPLASM OF A CELL GOT1, GGCT, TGM2 ALDH1A1 1289/4885KIF11 2263/4885HDAC3 3164/4885
US-10780090-B2 Heteroaryl compounds useful as inhibitors of SUMO activating enzyme SAE1, SUMO1, SUMO3 ALDH1A1 1512/4885KIF11 4157/4885HDAC3 298/4885
US-20220331316-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO1, SUMO3 ALDH1A1 1512/4885KIF11 4157/4885HDAC3 298/4885
US-20030220245-A1 Conjugate addition reactions for the controlled delivery of pharmaceutical active compounds PAICS, C9, LIPA ALDH1A1 533/4885KIF11 2222/4885HDAC3 2248/4885

“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.