SCHEMBL2431713

SCHEMBL2431713

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 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
SCHEMBL2431710 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDNPSR1HTT
SCHEMBL2434531 0.88 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HPGDNPSR1HTT
SCHEMBL2434526 0.88 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HPGDNPSR1HTT
SCHEMBL4845297 0.86 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDNPSR1HTT
SCHEMBL2431591 0.86 KMT2A (0.37) ALDH1A1SMN1; SMN2NPSR1HTTKMT2A
SCHEMBL4845307 0.86 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDNPSR1HTT
SCHEMBL2431589 0.86 KMT2A (0.37) ALDH1A1SMN1; SMN2NPSR1HTTKMT2A
SCHEMBL17244346 0.86 LMNA (0.35) ALDH1A1HPGDNPSR1HTTKMT2A
SCHEMBL6103454 0.83 ALDH1A1 (0.33) ALDH1A1HPGDKMT2AMEN1L3MBTL1
SCHEMBL2435345 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HPGDNPSR1HTT

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 11 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
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
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
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
WO-2009000818-A1 3-CARBONYLAMINOTHIOPHENE-2-CARBOXYLIC ACIDS AS HEPATITIS C VIRUS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-31 WO disclosed
WO-2008125599-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-23 WO disclosed
EP-1971599-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-24 EP disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 WO disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 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 (2 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 1772/4885HPGD 4541/4885
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds EIF2AK2, HAVCR2, MAVS ALDH1A1 1037/4885SMN1; SMN2 1628/4885HPGD 4655/4885

“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.