SCHEMBL2430504

SCHEMBL2430504

CCn1ccc(C(=O)Nc2ccc(-c3cc(N(C(=O)[C@H]4CC[C@H](C)CC4)C(C)C)c(C(=O)O)s3)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
ROCK1 Q13464 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM5A P29375 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
SCHEMBL2430510 1.00 RAB9A (0.41) RAB9ANPC1GAASMN1; SMN2POLB
SCHEMBL2433991 0.90 NPC1 (0.38) RAB9ANPC1SMN1; SMN2POLBROCK1
SCHEMBL2432890 0.90 NPC1 (0.38) RAB9ANPC1SMN1; SMN2POLBROCK1
SCHEMBL2434248 0.86 LMNA (0.44) ROCK1ALDH1A1MAPTLMNACYP2C19
SCHEMBL2434251 0.86 LMNA (0.44) ROCK1ALDH1A1MAPTLMNACYP2C19
SCHEMBL2433558 0.85 RAB9A (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2433560 0.85 RAB9A (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2429269 0.85 ROCK1 (0.39) RAB9ANPC1GAAROCK1KDM4E
SCHEMBL2429273 0.85 ROCK1 (0.39) RAB9ANPC1GAAROCK1KDM4E
SCHEMBL2435529 0.84 RAB9A (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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 10 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
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 RAB9A 2071/4885NPC1 1898/4885GAA 1128/4885

“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.