SCHEMBL2434531

SCHEMBL2434531

COCC(C)N(C(=O)C1CCC(C)CC1)c1ccsc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 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
CYP1A2 P05177 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 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
SCHEMBL2434526 1.00 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL4845297 0.90 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL4845307 0.90 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL2434263 0.88 KMT2A (0.36) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL2434266 0.88 KMT2A (0.36) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL2431710 0.88 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL2431713 0.88 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL13630954 0.84 THRB (0.33) THRB
SCHEMBL2435345 0.83 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL2435350 0.83 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1

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
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

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 860/4885KMT2A 2967/4885MEN1 4775/4885

“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.