SCHEMBL2864539

SCHEMBL2864539

CS(=O)(=O)c1ccc(N2CCOCC2)c(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.50
SLC6A9 P48067 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.46
SLC6A5 Q9Y345 1/20 0.46
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KIF18A Q8NI77 1/20 0.42

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
SCHEMBL792314 0.84 SLC6A9 (0.44) AKR1C3SLC6A9SMN1; SMN2KDM4ESLC6A5
SCHEMBL14731319 0.79 AKR1C3 (0.51) AKR1C3SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL13211362 0.79 ALDH1A1 (0.50) AKR1C3SLC6A9SMN1; SMN2KDM4ESLC6A5
SCHEMBL11554889 0.78 KDM4E (0.67) AKR1C3SLC6A9SMN1; SMN2KDM4EMAPT
SCHEMBL12560142 0.78 SLC6A9 (0.62) SLC6A9SMN1; SMN2ALDH1A1
SCHEMBL1811174 0.78 SMN1; SMN2 (0.74) AKR1C3SLC6A9SMN1; SMN2KDM4ESLC6A5
SCHEMBL1475834 0.78 ALDH1A1 (0.61) AKR1C3SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL18394710 0.75 SMN1; SMN2 (0.59) AKR1C3SLC6A9SMN1; SMN2KDM4ESLC6A5
SCHEMBL19496857 0.75 AKR1C3 (0.52) AKR1C3SMN1; SMN2SLC6A5MAPTMEN1
SCHEMBL188672 0.75 MAPT (0.61) AKR1C3SMN1; SMN2KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 AKR1C3 2216/4885SLC6A9 2046/4885SMN1; SMN2 4399/4885

“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.