Sugi Predict

Sugi Predict / Compounds / SCHEMBL2431283

SCHEMBL2431283

SCHEMBL2431283

COC(=O)c1sc(-c2ccc(NC(=O)c3cscn3)cc2)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PTPN1 P18031 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ DGAT1 O75907 2/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ IKBKB O14920 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
SCHEMBL2431286 1.00 GRM4 (0.38) GRM4KDM4EHTTATMPTPN1
SCHEMBL2434506 0.93 GRM4 (0.34) GRM4KDM4EHTTATMMAPT
SCHEMBL2428166 0.92 DGAT1 (0.36) GRM4DGAT1ROCK2
SCHEMBL2428165 0.92 DGAT1 (0.36) GRM4DGAT1ROCK2
SCHEMBL2432222 0.92 GRM4 (0.36) GRM4KDM4EHTTATMPTPN1
SCHEMBL2432226 0.92 GRM4 (0.36) GRM4KDM4EHTTATMPTPN1
Ammonia Solution, Strong SCHEMBL2432088 0.91 DGAT1 (0.35) GRM4DGAT1ROCK2
SCHEMBL2431789 0.91 DGAT1 (0.35) GRM4DGAT1ROCK2
Ammonia Solution, Strong SCHEMBL2432090 0.91 DGAT1 (0.35) GRM4DGAT1ROCK2
SCHEMBL2433901 0.91 GRM4 (0.36) GRM4KDM4EHTTATMPTPN1

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 7 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
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 — — US 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 GRM4 3141/4885KDM4E 1120/4885HTT 3128/4885

“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.