SCHEMBL20151972

SCHEMBL20151972

CC(C)(C)OC(=O)CSCCCN=[N+]=[N-]

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CES1 P23141 1/20 0.30

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
SCHEMBL28937223 0.78 HDAC8 (0.40) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL20087381 0.76 TDP1 (0.44) HDAC8CYP1A2CYP2C9CYP2C19HTT
SCHEMBL31251087 0.76 HDAC8 (0.43) HDAC8HDAC1HDAC2HDAC6
SCHEMBL30737059 0.76 HDAC8 (0.43) HDAC8HDAC1HDAC2HDAC6
SCHEMBL26337010 0.75 CES1 (0.34) HDAC8CYP1A2CYP2C9CYP2C19HTT
SCHEMBL23301373 0.74 HDAC8 (0.37) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL21590083 0.74 GMNN (0.47) CYP2C9CYP2C19
SCHEMBL25493092 0.74 HDAC8 (0.31) HDAC8
SCHEMBL25272001 0.73 HDAC8 (0.33) HDAC8
SCHEMBL23768567 0.72 CYP2C9 (0.40) HDAC8CYP1A2CYP2C9CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133340-A1 ANTIBODY-DRUG CONJUGATES CHO Pharma Inc. (TW) 2018-05-17 US 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-20180133340-A1 ANTIBODY-DRUG CONJUGATES CSGALNACT1, ST6GAL1, PA2G4 HDAC8 2790/4885CYP1A2 626/4885CYP2C9 1628/4885

“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.