SCHEMBL2431858

SCHEMBL2431858

COC(=O)c1sc(-c2ccc(NC(=O)c3cscn3)nc2)cc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CDK9 P50750 1/20 0.33
GRM4 Q14833 1/20 0.32
KMT2A Q03164 1/20 0.32
MAP3K5 Q99683 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL2431840 1.00 KDM4E (0.34) KDM4EHTTATMNPC1RAB9A
SCHEMBL2428231 0.92 CDK9 (0.33) NPC1RAB9ATP53PKMHSD17B10
SCHEMBL2431844 0.92 CDK9 (0.33) NPC1RAB9ATP53PKMHSD17B10
SCHEMBL2431286 0.91 GRM4 (0.38) KDM4EHTTATMNPC1RAB9A
SCHEMBL2431283 0.91 GRM4 (0.38) KDM4EHTTATMNPC1RAB9A
SCHEMBL2435749 0.90 RAB9A (0.41) KDM4EHTTATMNPC1RAB9A
SCHEMBL2435744 0.90 RAB9A (0.41) KDM4EHTTATMNPC1RAB9A
SCHEMBL4341753 0.89 KMT2A (0.42) KDM4EHTTATMNPC1RAB9A
SCHEMBL4341749 0.89 KMT2A (0.42) KDM4EHTTATMNPC1RAB9A
SCHEMBL2431452 0.88 HTT (0.33) KDM4EHTTATMGRM4KMT2A

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 6 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
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 KDM4E 1120/4885HTT 3128/4885ATM 4195/4885

“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.