SCHEMBL14948807

SCHEMBL14948807

CCONC(CC)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MME P08473 1/20 0.32

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
SCHEMBL27813029 0.83 KDM4E (0.50) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL31360784 0.83 CA2 (0.39) SMN1; SMN2MME
SCHEMBL29599134 0.83 KDM4E (0.50) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL27791865 0.79 KDM4E (0.38) TGFBR1KDM4EMAPTTHRBALOX15
SCHEMBL28113681 0.79 FOLH1 (0.52) FOLH1NAALAD2
SCHEMBL23641598 0.79
SCHEMBL27597011 0.77 KMT2A (0.42) ALOX15BLMFOLH1NAALAD2KMT2A
SCHEMBL27597009 0.77 KMT2A (0.42) ALOX15BLMFOLH1NAALAD2KMT2A
SCHEMBL1287220 0.74
SCHEMBL13248610 0.74

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-8975283-B2 Pharmacologically active compounds containing sulfur JON PTY LIMITED (AU) 2015-03-10 US disclosed
US-20130123504-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS CONTAINING SULFUR JON PTY LIMITED (AU) 2013-05-16 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-20130123504-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS CONTAINING SULFUR SCLY, STS, SQOR TGFBR1 1722/4885KDM4E 4559/4885MAPT 4757/4885

“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.