SCHEMBL2435447

SCHEMBL2435447

CC1CCC(C(=O)N(c2cc(-c3ccc(NC(=O)c4ccoc4)cc3)sc2C(=O)O)C(C)C)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
MAPK14 Q16539 6/20 0.37
HSPB1 P04792 1/20 0.37
DGAT1 O75907 1/20 0.36
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM1B Q8NB78 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32

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
SCHEMBL2429442 1.00 KCNK3 (0.39) KCNK3KCNK9MAPK14HSPB1DGAT1
SCHEMBL2432620 0.87 PTPN2 (0.42) KCNK3KCNK9DGAT1RAB9AMEN1
SCHEMBL2428609 0.87 PTPN2 (0.42) KCNK3KCNK9DGAT1RAB9AMEN1
SCHEMBL2430785 0.86 MEN1 (0.48) KCNK3DGAT1RAB9AMEN1POLB
SCHEMBL2431579 0.86 KCNK3 (0.39) KCNK3KCNK9MAPK14DGAT1RAB9A
SCHEMBL2431299 0.86 KCNK3 (0.39) KCNK3KCNK9MAPK14DGAT1RAB9A
SCHEMBL2430782 0.86 MEN1 (0.48) KCNK3DGAT1RAB9AMEN1POLB
SCHEMBL2428610 0.85 ABL1 (0.40) DGAT1THRB
SCHEMBL2433218 0.85 ABL1 (0.40) DGAT1THRB
SCHEMBL2431575 0.85 DGAT1 (0.35) DGAT1

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 8 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
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 KCNK3 4834/4885KCNK9 4884/4885MAPK14 3677/4885

“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.