SCHEMBL799956

SCHEMBL799956

CC(=O)SCc1ccc(-c2cccs2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.55
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 2/20 0.54
GLA P06280 1/20 0.54
LTA4H P09960 1/20 0.53
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL799502 0.82 DPP4 (0.52) DPP4ALDH1A1KDM4ELMNAGAA
SCHEMBL2149970 0.79 CYP2C19 (0.47) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL799843 0.76 HDAC3 (0.36) DPP4ALDH1A1KDM4EMAPTMEN1
SCHEMBL13712565 0.76 ALDH1A1 (0.57) DPP4ALDH1A1KDM4ELMNAGAA
SCHEMBL498734 0.75 DPP4 (0.66) DPP4ALDH1A1KDM4ELMNAGAA
SCHEMBL799845 0.75 HDAC3 (0.35) DPP4HDAC1
SCHEMBL13088311 0.74 DPP4 (0.62) DPP4ALDH1A1KDM4ELMNAGAA
SCHEMBL406832 0.73 DPP4 (0.96) DPP4ALDH1A1KDM4ELMNAGAA
SCHEMBL8575790 0.73 LTA4H (0.67) DPP4ALDH1A1KDM4ELMNAGAA
SCHEMBL17164834 0.73 DPP4 (0.55) DPP4ALDH1A1KDM4ELMNAGAA

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 DPP4 4118/4885ALDH1A1 1831/4885KDM4E 3599/4885

“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.