Sugi Predict

Sugi Predict / Compounds / SCHEMBL2431089

SCHEMBL2431089

SCHEMBL2431089

COC(=O)c1sc(-c2ccc(NC(=O)c3ccncn3)cc2)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 5/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ACKR3 P25106 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ MAPT P10636 3/20 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
▸ IP6K1 Q92551 1/20 0.33
▸ IP6K3 Q96PC2 1/20 0.33
▸ IP6K2 Q9UHH9 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ PARP1 P09874 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
SCHEMBL2431091 1.00 GRM4 (0.39) GRM4KDM4EHTTATMACKR3
SCHEMBL2429934 0.92 GRM4 (0.40) GRM4ACKR3IP6K1IP6K3IP6K2
SCHEMBL2429941 0.92 GRM4 (0.40) GRM4ACKR3IP6K1IP6K3IP6K2
SCHEMBL2434442 0.90 RAB9A (0.44) GRM4HTTMAPTNPC1RAB9A
SCHEMBL2434440 0.90 RAB9A (0.44) GRM4HTTMAPTNPC1RAB9A
SCHEMBL2432670 0.90 PTPN1 (0.46) GRM4KDM4EHTTATMPTPN1
SCHEMBL2432673 0.90 PTPN1 (0.46) GRM4KDM4EHTTATMPTPN1
SCHEMBL2431283 0.88 GRM4 (0.38) GRM4KDM4EHTTATMPTPN1
SCHEMBL2431286 0.88 GRM4 (0.38) GRM4KDM4EHTTATMPTPN1
SCHEMBL2430822 0.87 KDM4E (0.36) KDM4EHTTATMPTPN1MAPT

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.