SCHEMBL3540111

SCHEMBL3540111

CCSC(=S)/C=C(\O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.47
HDAC4 P56524 9/20 0.47
HDAC1 Q13547 9/20 0.47
HDAC7 Q8WUI4 9/20 0.47
HDAC2 Q92769 9/20 0.47
HDAC10 Q969S8 9/20 0.47
HDAC11 Q96DB2 9/20 0.47
HDAC8 Q9BY41 9/20 0.47
HDAC6 Q9UBN7 9/20 0.47
HDAC9 Q9UKV0 9/20 0.47
HDAC5 Q9UQL6 9/20 0.47
NFE2L2 Q16236 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NOS3 P29474 2/20 0.37

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
SCHEMBL3540114 1.00 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3072408 0.78 NFE2L2 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4071342 0.74 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3072414 0.70 NFE2L2 (0.42) NFE2L2CA12CA1CA2CA9
SCHEMBL3072410 0.70 NFE2L2 (0.42) NFE2L2CA12CA1CA2CA9
SCHEMBL18602171 0.68 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
Thiobenzoic Acid SCHEMBL28362258 0.68 ALDH1A1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3546457 0.67 NFE2L2 (0.52) NFE2L2CA12CA1CA2CA9
SCHEMBL3546458 0.67 NFE2L2 (0.52) NFE2L2CA12CA1CA2CA9
SCHEMBL24827501 0.67 NFE2L2 (0.57) HDAC3HDAC1HDAC2NFE2L2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674823-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-03-09 US disclosed
US-7674823-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-03-09 US disclosed
US-20070238729-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-10-11 US disclosed
US-20070238729-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-10-11 US disclosed
US-7226918-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-05 US disclosed
US-7226918-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-05 US disclosed
US-20040192687-A1 Dna-pk inhibitors CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2004-09-30 US disclosed
EP-1417196-A1 DNA-PK INHIBITORS Cancer Research Technology Limited (GB) 2004-05-12 EP disclosed
WO-2003024949-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-03-27 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-20040192687-A1 Dna-pk inhibitors ATM, CHEK1, XRCC6 HDAC3 275/4885HDAC4 228/4885HDAC1 294/4885
US-20070238729-A1 DNA-PK INHIBITORS ATM, CHEK2, CHEK1 HDAC3 367/4885HDAC4 167/4885HDAC1 371/4885

“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.