SCHEMBL799558

SCHEMBL799558

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
TRPV1 Q8NER1 6/20 0.35
RPS6KB2 Q9UBS0 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PRNP P04156 1/20 0.33
RECQL P46063 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 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
SCHEMBL799957 0.99 HPGD (0.36) HPGDTRPV1RPS6KB2ALDH1A1LMNA
SCHEMBL799817 0.92 RPS6KB2 (0.34) HPGDTRPV1RPS6KB2HDAC3HDAC4
SCHEMBL799488 0.91 RPS6KB2 (0.34) HPGDTRPV1RPS6KB2HDAC3HDAC4
SCHEMBL799845 0.83 HDAC3 (0.35) RPS6KB2HDAC3HDAC4HDAC1HDAC7
SCHEMBL799843 0.82 HDAC3 (0.36) RPS6KB2ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL799502 0.79 DPP4 (0.52) HPGDALDH1A1LMNAHDAC1DPP4
SCHEMBL25701027 0.78 RPS6KB2 (0.50) HPGDTRPV1RPS6KB2ALDH1A1LMNA
SCHEMBL799794 0.76 DPP4 (0.36) HPGDTRPV1DPP4
SCHEMBL799548 0.74 DPP4 (0.34) HPGDTRPV1RPS6KB2DPP4
SCHEMBL7608079 0.74 HPGD (0.50) HPGDTRPV1ALDH1A1LMNAPRNP

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 HPGD 2789/4885TRPV1 1066/4885RPS6KB2 4851/4885

“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.