SCHEMBL2435331

SCHEMBL2435331

COC(=O)c1sc(-c2ccc(NC(=O)c3ccsc3)cc2)cc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
HPGD P15428 3/20 0.38
MAPK14 Q16539 1/20 0.37
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PTPN1 P18031 3/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.34
DGAT1 O75907 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL2435327 1.00 KDM4E (0.38) KDM4EHTTATMHPGDMAPK14
SCHEMBL2431299 0.92 KCNK3 (0.39) HPGDMAPK14KCNK3KCNK9NPC1
SCHEMBL2431579 0.92 KCNK3 (0.39) HPGDMAPK14KCNK3KCNK9NPC1
SCHEMBL2494789 0.88 KDM4E (0.47) KDM4EHTTATMHPGDNPC1
SCHEMBL2494792 0.88 KDM4E (0.47) KDM4EHTTATMHPGDNPC1
SCHEMBL2431283 0.86 GRM4 (0.38) KDM4EHTTATMHPGDNPC1
SCHEMBL2427855 0.86 DHX9 (0.39) KDM4EHTTATMHPGDNPC1
SCHEMBL2431286 0.86 GRM4 (0.38) KDM4EHTTATMHPGDNPC1
SCHEMBL2427857 0.86 DHX9 (0.39) KDM4EHTTATMHPGDNPC1
SCHEMBL2434499 0.85 PTPN1 (0.45) KDM4EHTTATMHPGDNPC1

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 2 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

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.