SCHEMBL13630688

SCHEMBL13630688

COC(=O)c1sc(I)cc1N(CC1CC1)C(=O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.39
ALDH1A1 P00352 3/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
DYRK1A Q13627 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2431906 0.90 CYP2E1 (0.35) NR1H4ALDH1A1TP53NPC1RAB9A
SCHEMBL2431909 0.90 CYP2E1 (0.35) NR1H4ALDH1A1TP53NPC1RAB9A
SCHEMBL14043164 0.83 CYP2E1 (0.39) NPC1RAB9A
SCHEMBL13630952 0.81 ALDH1A1 (0.48) NR1H4ALDH1A1CASP3SENP7SENP6
SCHEMBL2427730 0.79 CYP2E1 (0.35) NR1H4ALDH1A1TP53NPC1RAB9A
SCHEMBL2427732 0.79 CYP2E1 (0.35) NR1H4ALDH1A1TP53NPC1RAB9A
SCHEMBL10264611 0.77 CYP2E1 (0.40) NR1H4ALDH1A1TP53NPC1RAB9A
SCHEMBL15124246 0.77 CYP2E1 (0.40) NR1H4ALDH1A1TP53NPC1RAB9A
SCHEMBL671182 0.76 ALDH1A1 (0.41) NR1H4ALDH1A1TP53MEN1KMT2A
SCHEMBL4344584 0.76 ALDH1A1 (0.41) NR1H4ALDH1A1TP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 NR1H4 1468/4885ALDH1A1 860/4885CASP3 1076/4885

“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.