SCHEMBL2431579

SCHEMBL2431579

CC1CCC(C(=O)N(c2cc(-c3ccc(NC(=O)c4ccsc4)cc3)sc2C(=O)O)C(C)C)CC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
HPGD P15428 1/20 0.38
MAPK14 Q16539 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DGAT1 O75907 1/20 0.37
KMT2A Q03164 1/20 0.35
GRM4 Q14833 1/20 0.34
PTPRF P10586 1/20 0.33
PTPN1 P18031 1/20 0.33
CTSL P07711 2/20 0.33
CTSS P25774 2/20 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
SCHEMBL2431299 1.00 KCNK3 (0.39) KCNK3KCNK9HPGDMAPK14NPC1
SCHEMBL2435331 0.92 KDM4E (0.38) KCNK3KCNK9HPGDMAPK14NPC1
SCHEMBL2435327 0.92 KDM4E (0.38) KCNK3KCNK9HPGDMAPK14NPC1
SCHEMBL2428609 0.87 PTPN2 (0.42) KCNK3KCNK9NPC1RAB9ADGAT1
SCHEMBL2432620 0.87 PTPN2 (0.42) KCNK3KCNK9NPC1RAB9ADGAT1
SCHEMBL2430785 0.87 MEN1 (0.48) KCNK3NPC1RAB9ADGAT1KMT2A
SCHEMBL2430782 0.87 MEN1 (0.48) KCNK3NPC1RAB9ADGAT1KMT2A
SCHEMBL2435447 0.86 KCNK3 (0.39) KCNK3KCNK9MAPK14RAB9ADGAT1
SCHEMBL2429442 0.86 KCNK3 (0.39) KCNK3KCNK9MAPK14RAB9ADGAT1
SCHEMBL2430863 0.85 DGAT1 (0.39) DGAT1KMT2A

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 7 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 claimed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US claimed
EP-2086966-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 EP claimed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 WO claimed
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
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 KCNK3 4834/4885KCNK9 4884/4885HPGD 4541/4885

“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.