SCHEMBL2433528

SCHEMBL2433528

Cc1nc(C(=O)Nc2ccc(-c3cc(N(C(=O)C4CCC(C)CC4)C(C)C)c(C(=O)O)s3)cc2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KCNH2 Q12809 2/20 0.38
SLC6A3 Q01959 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CBLB Q13191 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.35
TLR7 Q9NYK1 1/20 0.35
BACE1 P56817 2/20 0.34
DGAT1 O75907 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL2433524 1.00 NPC1 (0.39) NPC1RAB9AKCNH2SLC6A3TAAR1
SCHEMBL2435741 0.92 NPC1 (0.38) NPC1RAB9AKCNH2SLC6A3TAAR1
SCHEMBL2435739 0.92 NPC1 (0.38) NPC1RAB9AKCNH2SLC6A3TAAR1
SCHEMBL2431399 0.91 MAPT (0.34) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL2431394 0.91 MAPT (0.34) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL2430837 0.88 MMP13 (0.38) SMN1; SMN2DGAT1KDM4E
SCHEMBL2430834 0.88 MMP13 (0.38) SMN1; SMN2DGAT1KDM4E
SCHEMBL2431789 0.87 DGAT1 (0.35) DGAT1
SCHEMBL2430852 0.87 GRM4 (0.44) NPC1RAB9ASMN1; SMN2MAPTDGAT1
SCHEMBL2430579 0.87 GRM4 (0.44) NPC1RAB9ASMN1; SMN2MAPTDGAT1

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-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 EP claimed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 WO 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 NPC1 1898/4885RAB9A 2071/4885KCNH2 4402/4885

“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.