SCHEMBL2429418

SCHEMBL2429418

CC(C)N(c1cc(-c2ccc(NC(=O)c3cnn(C)c3)cc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHX9 Q08211 1/20 0.40
DGAT1 O75907 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ABL1 P00519 1/20 0.39
KDM1A O60341 4/20 0.38
RCOR1 Q9UKL0 2/20 0.38
MMP13 P45452 1/20 0.38
ROCK1 Q13464 1/20 0.37
MAPT P10636 1/20 0.37
EGFR P00533 1/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL2436794 1.00 DHX9 (0.40) DHX9DGAT1ALDH1A1LMNAABL1
SCHEMBL2427857 0.92 DHX9 (0.39) DHX9DGAT1ALDH1A1LMNAABL1
SCHEMBL2427855 0.92 DHX9 (0.39) DHX9DGAT1ALDH1A1LMNAABL1
SCHEMBL2434251 0.91 LMNA (0.44) DGAT1ALDH1A1LMNAKDM1AROCK1
SCHEMBL2434248 0.91 LMNA (0.44) DGAT1ALDH1A1LMNAKDM1AROCK1
SCHEMBL2430863 0.87 DGAT1 (0.39) DGAT1ROCK1
SCHEMBL2434672 0.87 DGAT1 (0.39) DGAT1ROCK1
SCHEMBL2433420 0.87 NPC1 (0.41) DGAT1
SCHEMBL2433418 0.87 NPC1 (0.41) DGAT1
SCHEMBL2431352 0.87 RAB9A (0.40) DGAT1ALDH1A1MAPTKDR

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 9 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
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
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 DHX9 1366/4885DGAT1 4164/4885ALDH1A1 860/4885

“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.