SCHEMBL2431346

SCHEMBL2431346

CC1CCC(C(=O)N(c2cc(-c3ccc(NC(=O)c4cn(C)cn4)cc3)sc2C(=O)O)C(C)C)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.36
ACKR3 P25106 1/20 0.36
DGAT1 O75907 7/20 0.35
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
GRM4 Q14833 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31

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
SCHEMBL2431344 1.00 SMYD3 (0.36) SMYD3ACKR3DGAT1PRMT5WDR77
SCHEMBL2430622 0.91 ACKR3 (0.34) SMYD3ACKR3DGAT1PRMT5WDR77
SCHEMBL2432185 0.91 ACKR3 (0.34) SMYD3ACKR3DGAT1PRMT5WDR77
SCHEMBL2430867 0.88 ACKR3 (0.38) SMYD3ACKR3PRMT5WDR77KAT8
SCHEMBL2430873 0.88 ACKR3 (0.38) SMYD3ACKR3PRMT5WDR77KAT8
SCHEMBL2436465 0.88 NR1I2 (0.37) SMYD3ACKR3DGAT1GSK3BDYRK1A
SCHEMBL2436462 0.88 NR1I2 (0.37) SMYD3ACKR3DGAT1GSK3BDYRK1A
SCHEMBL2434495 0.87 DGAT1 (0.35) DGAT1
SCHEMBL2431575 0.87 DGAT1 (0.35) DGAT1
SCHEMBL2431573 0.87 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 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-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
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 SMYD3 3068/4885ACKR3 3377/4885DGAT1 4164/4885

“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.