SCHEMBL2432191

SCHEMBL2432191

Cc1cncc(C(=O)Nc2ccc(-c3cc(N(C(=O)C4CCC(C)CC4)C(C)C)c(C(=O)O)s3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 13/20 0.41
DGAT1 O75907 1/20 0.39
MAPT P10636 1/20 0.36
GSK3B P49841 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
SCHEMBL2431201 1.00 ACKR3 (0.41) ACKR3DGAT1MAPTGSK3B
SCHEMBL2433060 0.91 DGAT1 (0.45) ACKR3DGAT1MAPT
SCHEMBL2433058 0.91 DGAT1 (0.45) ACKR3DGAT1MAPT
SCHEMBL2431395 0.87 DGAT1 (0.40) ACKR3DGAT1MAPTGSK3B
SCHEMBL2431392 0.87 DGAT1 (0.40) ACKR3DGAT1MAPTGSK3B
SCHEMBL2429418 0.86 DHX9 (0.40) DGAT1MAPT
SCHEMBL2430863 0.86 DGAT1 (0.39) DGAT1
SCHEMBL2436794 0.86 DHX9 (0.40) DGAT1MAPT
SCHEMBL2434672 0.86 DGAT1 (0.39) DGAT1
SCHEMBL2433218 0.86 ABL1 (0.40) ACKR3DGAT1MAPTGSK3B

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 6 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-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 ACKR3 3377/4885DGAT1 4164/4885MAPT 3802/4885

“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.