SCHEMBL2432492

SCHEMBL2432492

COC(=O)c1sc(I)cc1N(C(=O)C1CCC(C)CC1)C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.36
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TSHR P16473 2/20 0.31
HSP90AA1 P07900 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
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
SCHEMBL2432488 1.00 NR1I2 (0.36) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL139451 0.93 NR1I2 (0.33) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL102056 0.93 NR1I2 (0.33) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL132635 0.91 NR1I2 (0.34) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL14290668 0.91 CYP2E1 (0.34) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL101459 0.91 NR1I2 (0.34) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL2876329 0.91 NR1I2 (0.37) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL2876332 0.91 NR1I2 (0.37) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL2432640 0.88 NR1I2 (0.32) NR1I2KDM4EHTTATMALDH1A1
SCHEMBL2432624 0.88 NR1I2 (0.32) NR1I2KDM4EHTTATMALDH1A1

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
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
EP-2086966-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 EP disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 WO 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 NR1I2 766/4885KDM4E 1120/4885HTT 3128/4885

“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.