SCHEMBL16856765

SCHEMBL16856765

Fc1ccc(-c2cc(=S)ss2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.64
HDAC3 O15379 9/20 0.64
HDAC4 P56524 9/20 0.64
HDAC1 Q13547 9/20 0.64
HDAC7 Q8WUI4 9/20 0.64
HDAC2 Q92769 9/20 0.64
HDAC10 Q969S8 9/20 0.64
HDAC11 Q96DB2 9/20 0.64
HDAC8 Q9BY41 9/20 0.64
HDAC9 Q9UKV0 9/20 0.64
HDAC5 Q9UQL6 9/20 0.64
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
PGR P06401 1/20 0.58
ADRB2 P07550 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
MAOA P21397 1/20 0.58
TBXA2R P21731 1/20 0.58
SLC6A2 P23975 1/20 0.58
NPY1R P25929 1/20 0.58

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
SCHEMBL28820748 0.78 HDAC3 (0.64) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8457651 0.78 HDAC3 (0.64) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL596212 0.78 HDAC3 (0.64) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL596141 0.77 HDAC3 (0.63) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL2462288 0.74 HDAC3 (0.59) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL19002178 0.74 HDAC3 (0.58) HDAC6HDAC3HDAC4HDAC1HDAC7
Anetholtrithion SCHEMBL225654 0.74 MEN1 (1.00) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL15928850 0.74 HDAC3 (0.58) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL19002183 0.74 HDAC6 (0.58) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL12601934 0.72 HDAC3 (0.56) HDAC6HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150239864-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF SOOCHOW UNIVERSITY (CN) 2015-08-27 US claimed
EP-2889294-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF Soochow University (CN) 2015-07-01 EP claimed
US-20150239864-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF SOOCHOW UNIVERSITY (CN) 2015-08-27 US disclosed
EP-2889294-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF Soochow University (CN) 2015-07-01 EP 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 (1 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-20150239864-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF TXN2, TXN, TXNRD2 HDAC6 2840/4885HDAC3 1693/4885HDAC4 3294/4885

“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.