SCHEMBL9604219

SCHEMBL9604219

CC(=O)[C@@H](C)Cc1c[nH]c(=S)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A4 Q9H015 1/20 0.55
KDM3B Q7LBC6 1/20 0.36
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL14330476 0.81 SLC22A4 (0.54) SLC22A4KDM3BKMT2ATDP1
SCHEMBL1867162 0.72 SLC22A4 (0.51) SLC22A4KDM3BKMT2ATDP1
SCHEMBL20925250 0.70 SLC22A4 (0.72) SLC22A4KDM3BKMT2ATDP1
SCHEMBL20925187 0.69 SLC22A4 (0.70) SLC22A4KDM3BKMT2ATDP1
SCHEMBL14279284 0.67 ALDH1A1 (0.58) KMT2A
SCHEMBL10806987 0.63 KDM3B (0.40) SLC22A4KDM3BKMT2ATDP1
SCHEMBL9293068 0.62 ESR1 (0.48)
SCHEMBL9294568 0.62 HPGD (0.36) KMT2A
SCHEMBL6865358 0.60 MAP3K7 (0.30)
SCHEMBL12568355 0.60 MAP3K7 (0.30)

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-8399500-B2 Method of synthesizing ergothioneine and analogs TETRAHEDRON (FR) 2013-03-19 US disclosed
US-20120136159-A1 THE METHOD OF SYNTHESIZING ERGOTHIONEINE AND ANALOGS TERTRAHEDRON (FR) 2012-05-31 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-20120136159-A1 THE METHOD OF SYNTHESIZING ERGOTHIONEINE AND ANALOGS TST, SLC6A12, TTPA SLC22A4 331/4885KDM3B 4522/4885KMT2A 3342/4885

“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.