SCHEMBL2431500

SCHEMBL2431500

COC(=O)c1sc(-c2ccc(NC(=O)c3ccco3)nc2)cc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.43
RAB9A P51151 11/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 3/20 0.41
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
PAX8 Q06710 1/20 0.37
KLF5 Q13887 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2431496 1.00 NPC1 (0.43) NPC1RAB9ATSHRALDH1A1HPGD
SCHEMBL2437073 0.92 NPC1 (0.44) NPC1RAB9ATSHRALDH1A1HPGD
SCHEMBL2436586 0.92 NPC1 (0.44) NPC1RAB9ATSHRALDH1A1HPGD
SCHEMBL2432534 0.89 MEN1 (0.45) NPC1RAB9ATSHRHPGDSMN1; SMN2
SCHEMBL2432538 0.89 MEN1 (0.45) NPC1RAB9ATSHRHPGDSMN1; SMN2
SCHEMBL2435744 0.86 RAB9A (0.41) NPC1RAB9ATSHRALDH1A1HPGD
SCHEMBL2435749 0.86 RAB9A (0.41) NPC1RAB9ATSHRALDH1A1HPGD
SCHEMBL2431840 0.86 KDM4E (0.34) NPC1RAB9AHPGDTP53KDM4E
SCHEMBL2431858 0.86 KDM4E (0.34) NPC1RAB9AHPGDTP53KDM4E
SCHEMBL2431526 0.85 KDM4E (0.43) NPC1RAB9AHPGDTP53KDM4E

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 5 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 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 NPC1 1898/4885RAB9A 2071/4885TSHR 1343/4885

“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.