SCHEMBL2431207

SCHEMBL2431207

COC(=O)c1sc(-c2ccc(NC(=O)c3cscn3)c(OC)c2)cc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.43
HTT P42858 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
PTPN1 P18031 1/20 0.33
MAPT P10636 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
DGAT1 O75907 1/20 0.33
DHODH Q02127 1/20 0.32

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
SCHEMBL2431206 1.00 GRM4 (0.43) GRM4HTTKDM4EATMSMN1; SMN2
SCHEMBL2432584 0.94 GRM4 (0.43) GRM4HTTKDM4ESMN1; SMN2NPC1
SCHEMBL2427859 0.94 GRM4 (0.43) GRM4HTTKDM4ESMN1; SMN2NPC1
SCHEMBL2436807 0.93 GRM4 (0.39) GRM4HTTKDM4EATMNPC1
SCHEMBL2436809 0.93 GRM4 (0.39) GRM4HTTKDM4EATMNPC1
SCHEMBL2430497 0.91 RXFP1 (0.35) GRM4HTTKDM4EATMHPGD
SCHEMBL2430494 0.91 RXFP1 (0.35) GRM4HTTKDM4EATMHPGD
SCHEMBL2431286 0.89 GRM4 (0.38) GRM4HTTKDM4EATMNPC1
SCHEMBL2431283 0.89 GRM4 (0.38) GRM4HTTKDM4EATMNPC1
SCHEMBL12329092 0.89 GRM4 (0.42) GRM4HTTKDM4ESMN1; SMN2NPC1

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 4 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

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 GRM4 3141/4885HTT 3128/4885KDM4E 1120/4885

“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.