SCHEMBL799845

SCHEMBL799845

COc1ccc(-c2ccc(-c3ccc(CSC(C)=O)s3)s2)s1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
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
DPP4 P27487 3/20 0.34
PDE4B Q07343 2/20 0.32
PDE4D Q08499 2/20 0.32
APP P05067 1/20 0.31
RPS6KB2 Q9UBS0 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 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
SCHEMBL799843 0.98 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL799817 0.86 RPS6KB2 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL799488 0.84 RPS6KB2 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL799558 0.83 HPGD (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL799957 0.82 HPGD (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14867609 0.76 DPP4 (0.51) HDAC6DPP4APPPDGFRBPDGFRA
SCHEMBL799956 0.75 DPP4 (0.55) HDAC1DPP4
SCHEMBL799961 0.74 GSK3B (0.33) APPPDGFRBPDGFRA
SCHEMBL14871942 0.73 APP (0.46) DPP4APPPDGFRBPDGFRA
SCHEMBL799960 0.73 DPP4 (0.40) DPP4APPPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8663451-B2 Linker, impedance biochip, and method of quantitatively detecting target analyte in fluid sample using the biochip NATIONAL TAIWAN UNIVERSITY (TW) 2014-03-04 US disclosed
US-20120067742-A1 LINKER, IMPEDANCE BIOCHIP, AND METHOD OF QUANTITATIVELY DETECTING TARGET ANALYTE IN FLUID SAMPLE USING THE BIOCHIP NATIONAL TAIWAN UNIVERSITY (TW) 2012-03-22 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-20120067742-A1 LINKER, IMPEDANCE BIOCHIP, AND METHOD OF QUANTITATIVELY DETECTING TARGET ANALYTE IN FLUID SAMPLE USING THE BIOCHIP EPCAM, CA13, CD44 HDAC3 3710/4885HDAC4 4073/4885HDAC1 4128/4885

“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.