SCHEMBL2431376

SCHEMBL2431376

COC(=O)c1sccc1N(C(=O)C1CCC(C)CC1)C1CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPSR1 Q6W5P4 3/20 0.39
HPGD P15428 3/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
PRNP P04156 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL2431371 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL989690 0.93 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL2107036 0.93 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL14290920 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL2873412 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL989565 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL2873409 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL2878267 0.90 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL2878269 0.90 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2GAAMAPTHTT
SCHEMBL4843391 0.87 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GAAMAPTHTT

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 ALDH1A1 860/4885SMN1; SMN2 1772/4885GAA 1128/4885

“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.