SCHEMBL3087541

SCHEMBL3087541

O=C(O)CCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.52
ALDH1A1 P00352 1/20 0.49
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3792783 0.98 KIF11 (0.50) KIF11ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL27148055 0.98 KIF11 (0.50) KIF11ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL15144366 0.98 KIF11 (0.50) KIF11ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL18670133 0.98 KIF11 (0.50) KIF11ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL28482917 0.98 KIF11 (0.50) KIF11ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL28487494 0.98 KIF11 (0.50) KIF11ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL2634426 0.98 KIF11 (0.50) KIF11ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL34262 0.98 KIF11 (0.50) KIF11ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL329636 0.95 ALDH1A1 (0.55) KIF11ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL23405872 0.88 KIF11 (0.50) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220054659-A1 PSMA-TARGETED PAMAM DENDRIMERS FOR SPECIFIC DELIVERY OF IMAGING, CONTRAST AND THERAPEUTIC AGENTS THE JOHNS HOPKINS UNIVERSTY 2022-02-24 US disclosed
EP-3893942-A1 PSMA-TARGETED PAMAM DENDRIMERS FOR SPECIFIC DELIVERY OF IMAGING, CONTRAST AND THERAPEUTIC AGENTS The Johns Hopkins University (US) 2021-10-20 EP disclosed
EP-3733683-A1 NUCLEOSIDE ANALOGUE, PREPARATION METHOD AND APPLICATION GeneMind Biosciences Company Limited (CN) 2020-11-04 EP disclosed
WO-2020123975-A1 PSMA-TARGETED PAMAM DENDRIMERS FOR SPECIFIC DELIVERY OF IMAGING, CONTRAST AND THERAPEUTIC AGENTS THE JOHNS HOPKINS UNIVERSITY (US) 2020-06-18 WO disclosed
US-8653238-B2 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) 2014-02-18 US disclosed
US-8653238-B2 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) 2014-02-18 US disclosed
US-8642744-B2 Crosslinking reagent for analysis of protein-protein interaction AGILENT TECHNOLOGIES, INC. (US) 2014-02-04 US disclosed
US-8642744-B2 Crosslinking reagent for analysis of protein-protein interaction AGILENT TECHNOLOGIES, INC. (US) 2014-02-04 US disclosed
US-8217076-B2 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-07-10 US disclosed
US-20120107855-A1 CROSSLINKING REAGENT FOR ANALYSIS OF PROTEIN-PROTEIN INTERACTION AGILENT TECHNOLOGIES, INC. 2012-05-03 US disclosed
US-20120107855-A1 CROSSLINKING REAGENT FOR ANALYSIS OF PROTEIN-PROTEIN INTERACTION AGILENT TECHNOLOGIES, INC. 2012-05-03 US disclosed
US-20100255499-A1 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-07 US disclosed
US-20100255499-A1 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-07 US disclosed
US-20100255499-A1 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-07 US disclosed
US-20100029731-A1 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-04 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100029731-A1 Method for preparing largazole analogs and uses thereof CYP51A1, ADPRS, LPXN KIF11 1660/4885ALDH1A1 1004/4885HDAC3 114/4885
US-20120107855-A1 CROSSLINKING REAGENT FOR ANALYSIS OF PROTEIN-PROTEIN INTERACTION RPS27A, ECPAS, STAMBP KIF11 2440/4885ALDH1A1 3801/4885HDAC3 2609/4885
US-20220054659-A1 PSMA-TARGETED PAMAM DENDRIMERS FOR SPECIFIC DELIVERY OF IMAGING, CONTRAST AND THERAPEUTIC AGENTS KLK3, FOLH1, PAM KIF11 1093/4885ALDH1A1 3202/4885HDAC3 2389/4885
US-20100255499-A1 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS SLC2A9, SLC43A1, SLC2A8 KIF11 840/4885ALDH1A1 1967/4885HDAC3 3252/4885

“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.