SCHEMBL3344976

SCHEMBL3344976

CCCSC(=S)SC(C)(C)C#N

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL2232709 0.89 NOS3 (0.35) NOS3NOS1NOS2
SCHEMBL23398355 0.85 FAAH (0.31)
SCHEMBL2593550 0.85 FAAH (0.31)
SCHEMBL18209644 0.83 HDAC3 (0.30)
SCHEMBL17618932 0.82
SCHEMBL16558626 0.78 CYP1A2 (0.44) TDP1
SCHEMBL14246982 0.74 CYP1A2 (0.31) TDP1
SCHEMBL3343888 0.73
SCHEMBL35853 0.72 NOS3 (0.46) TDP1NOS3NOS1NOS2
SCHEMBL1697584 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210161825-A1 CHLOROQUINE-BASED MATERIALS FOR THE TREATMENT OF DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-03 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-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 (3 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 TDP1 1411/4885NOS3 1858/4885NOS1 1164/4885
US-20210161825-A1 CHLOROQUINE-BASED MATERIALS FOR THE TREATMENT OF DISEASES NOD2, MYD88, BECN1 TDP1 2292/4885NOS3 2455/4885NOS1 2522/4885
US-20090215965-A1 POLYMERISATION USING CHAIN TRANSFER AGENTS TRRAP, TRMT1, IPO11 TDP1 1411/4885NOS3 1858/4885NOS1 1164/4885

“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.