SCHEMBL10001205

SCHEMBL10001205

CC(C)(C)C(=O)c1c[nH]c(=S)[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM3B Q7LBC6 1/20 0.62
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
UBE2N P61088 1/20 0.37
SLC22A4 Q9H015 1/20 0.36
ADORA2A P29274 1/20 0.35
UCHL1 P09936 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.33
MEN1 O00255 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TP53 P04637 1/20 0.31
KDM4E B2RXH2 2/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL12031568 0.81 GAA (0.45) KDM3BKMT2AADORA2AGAA
SCHEMBL2491527 0.77 KDM3B (1.00) KDM3BKMT2ATDP1KDM4EGAA
SCHEMBL12872720 0.75 KDM3B (0.62) KDM3BKMT2ATDP1MEN1RXFP1
SCHEMBL1810204 0.71 KMT2A (0.61) KDM3BKMT2ATDP1MEN1KDM4E
SCHEMBL18689585 0.69 KDM3B (0.46) KDM3BKMT2ATDP1UBE2NCTDSP1
SCHEMBL14094104 0.69 KDM3B (0.46) KDM3BKMT2ATDP1MEN1GAA
SCHEMBL25418259 0.66 ATAD2 (0.60) KDM3BKMT2ATDP1UBE2NCTDSP1
SCHEMBL25450 0.66
SCHEMBL9654185 0.66 KDM3B (0.50) KDM3BKMT2ATDP1UBE2NSLC22A4
SCHEMBL28408957 0.65 ALDH1A1 (0.41) KDM3BTDP1UBE2NTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 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-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 KDM3B 2968/4885KMT2A 4174/4885TDP1 2238/4885

“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.