SCHEMBL3340499

SCHEMBL3340499

COC(=O)C(SC(=S)SCCO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.37
PKM P14618 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL18216997 0.89 KMT2A (0.44) KMT2ASMN1; SMN2NPSR1MEN1PKM
SCHEMBL3342807 0.88 KMT2A (0.43) KMT2ASMN1; SMN2NPSR1MEN1PKM
SCHEMBL13305899 0.87 NPSR1 (0.45) KMT2ASMN1; SMN2NPSR1MEN1PKM
SCHEMBL13305888 0.86 KMT2A (0.41) KMT2ASMN1; SMN2NPSR1MEN1PKM
SCHEMBL16093068 0.81 KMT2A (0.50) KMT2ASMN1; SMN2NPSR1MEN1PKM
SCHEMBL13305925 0.79 PKM (0.39) KMT2ASMN1; SMN2MEN1PKMHDAC3
SCHEMBL13305931 0.78 LMNA (0.42) KMT2AMEN1PKMMAPTHDAC3
SCHEMBL2893483 0.77 KMT2A (0.51) KMT2ASMN1; SMN2NPSR1MEN1CYP3A4
SCHEMBL237873 0.77 KMT2A (0.51) KMT2ASMN1; SMN2NPSR1MEN1CYP3A4
Propane SCHEMBL3346178 0.76 KMT2A (0.47) KMT2ASMN1; SMN2NPSR1MEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160574-A1 Polymerisation Using Chain Transfer Agents THE UNIVERSITY OF LEEDS (GB) 2010-06-24 US disclosed
US-20100160574-A1 Polymerisation Using Chain Transfer Agents THE UNIVERSITY OF LEEDS (GB) 2010-06-24 US disclosed
US-20100160574-A1 Polymerisation Using Chain Transfer Agents THE UNIVERSITY OF LEEDS (GB) 2010-06-24 US disclosed
US-20090215965-A1 POLYMERISATION USING CHAIN TRANSFER AGENTS THE UNIVERSITY OF LEEDS (GB) 2009-08-27 US disclosed
US-20090215965-A1 POLYMERISATION USING CHAIN TRANSFER AGENTS THE UNIVERSITY OF LEEDS (GB) 2009-08-27 US disclosed
US-20090215965-A1 POLYMERISATION USING CHAIN TRANSFER AGENTS THE UNIVERSITY OF LEEDS (GB) 2009-08-27 US disclosed
US-20070299221-A1 Polymerisation Using Chain Transfer Agents UNIVERSITY OF LEEDS, THE (GB) 2007-12-27 US disclosed
US-20070299221-A1 Polymerisation Using Chain Transfer Agents UNIVERSITY OF LEEDS, THE (GB) 2007-12-27 US disclosed
US-20070299221-A1 Polymerisation Using Chain Transfer Agents UNIVERSITY OF LEEDS, THE (GB) 2007-12-27 US disclosed
EP-1697424-A1 POLYMERISATION USING CHAIN TRANSFER AGENTS THE UNIVERSITY OF LEEDS (GB) 2006-09-06 EP disclosed
WO-2005061555-A1 POLYMERISATION USING CHAIN TRANSFER AGENTS THE UNIVERSITY OF LEEDS (GB) 2005-07-07 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 (2 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-20100160574-A1 Polymerisation Using Chain Transfer Agents TRRAP, TRMT1, IPO11 KMT2A 1898/4885SMN1; SMN2 4353/4885NPSR1 3257/4885
US-20090215965-A1 POLYMERISATION USING CHAIN TRANSFER AGENTS TRRAP, TRMT1, IPO11 KMT2A 1898/4885SMN1; SMN2 4353/4885NPSR1 3257/4885

“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.