SCHEMBL2434248

SCHEMBL2434248

CCn1cc(C(=O)Nc2ccc(-c3cc(N(C(=O)[C@H]4CC[C@H](C)CC4)C(C)C)c(C(=O)O)s3)cc2)cn1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DGAT1 O75907 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM1A O60341 3/20 0.38
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NAMPT P43490 2/20 0.35
AURKA O14965 1/20 0.35
FLT3 P36888 1/20 0.35
DYRK1A Q13627 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL2434251 1.00 LMNA (0.44) LMNAMAPTCYP2C19GFERNPSR1
SCHEMBL2436794 0.91 DHX9 (0.40) LMNAMAPTDGAT1ALDH1A1KDM1A
SCHEMBL2429418 0.91 DHX9 (0.40) LMNAMAPTDGAT1ALDH1A1KDM1A
SCHEMBL2433558 0.86 RAB9A (0.43) LMNAMAPTNPSR1DGAT1ALDH1A1
SCHEMBL2433560 0.86 RAB9A (0.43) LMNAMAPTNPSR1DGAT1ALDH1A1
SCHEMBL2430510 0.86 RAB9A (0.41) LMNAMAPTCYP2C19NPSR1DGAT1
SCHEMBL2430504 0.86 RAB9A (0.41) LMNAMAPTCYP2C19NPSR1DGAT1
SCHEMBL2434672 0.84 DGAT1 (0.39) DGAT1NAMPTROCK1
SCHEMBL2430863 0.84 DGAT1 (0.39) DGAT1NAMPTROCK1
SCHEMBL2430880 0.84 ROCK2 (0.40) LMNADGAT1AURKAFLT3ROCK1

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-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

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 LMNA 4420/4885MAPT 3802/4885CYP2C19 1000/4885

“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.