SCHEMBL799488

SCHEMBL799488

COc1ccc(-c2ccc(CCSC(C)=O)s2)s1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
HPGD P15428 1/20 0.33
TRPV1 Q8NER1 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4D Q08499 2/20 0.32
DPP4 P27487 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
SCHEMBL799817 0.99 RPS6KB2 (0.34) RPS6KB2HDAC3HDAC4HDAC1HDAC7
SCHEMBL799957 0.92 HPGD (0.36) RPS6KB2HDAC3HDAC4HDAC1HDAC7
SCHEMBL799558 0.91 HPGD (0.36) RPS6KB2HDAC3HDAC4HDAC1HDAC7
SCHEMBL799843 0.85 HDAC3 (0.36) RPS6KB2HDAC3HDAC4HDAC1HDAC7
SCHEMBL799845 0.84 HDAC3 (0.35) RPS6KB2HDAC3HDAC4HDAC1HDAC7
SCHEMBL25701027 0.75 RPS6KB2 (0.50) RPS6KB2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7611281 0.74 HPGD (0.46) HPGD
SCHEMBL799792 0.73 DPP4 (0.36) RPS6KB2DPP4
SCHEMBL799556 0.72 DPP4 (0.38) RPS6KB2DPP4
SCHEMBL14867609 0.72 DPP4 (0.51) HDAC6HPGDDPP4

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 RPS6KB2 4851/4885HDAC3 3710/4885HDAC4 4073/4885

“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.