Sugi Predict

Sugi Predict / Compounds / SCHEMBL2433856

SCHEMBL2433856

SCHEMBL2433856

COC(=O)c1sc(-c2cnc(NC(=O)c3ccc(F)cc3)c(C)c2)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 1/20 0.37
▸ IKBKB O14920 1/20 0.36
▸ ADORA2B P29275 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ABL1 P00519 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
SCHEMBL2433861 1.00 KDM4E (0.41) KDM4EPOLBIKBKBADORA2BHPGD
SCHEMBL2430401 0.93 KDM4E (0.35) KDM4EPOLBADORA2BTP53MAPT
SCHEMBL2430398 0.93 KDM4E (0.35) KDM4EPOLBADORA2BTP53MAPT
SCHEMBL2431526 0.89 KDM4E (0.43) KDM4EPOLBIKBKBADORA2BHPGD
SCHEMBL2431528 0.89 KDM4E (0.43) KDM4EPOLBIKBKBADORA2BHPGD
SCHEMBL12329288 0.87 RXFP1 (0.33) POLBADORA2BTP53MAPTRAB9A
SCHEMBL2494789 0.85 KDM4E (0.47) KDM4EPOLBIKBKBHPGDTP53
SCHEMBL2494792 0.85 KDM4E (0.47) KDM4EPOLBIKBKBHPGDTP53
SCHEMBL2432214 0.85 KDM4E (0.32) KDM4EHTTATM
SCHEMBL2432212 0.85 KDM4E (0.32) KDM4EHTTATM

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
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
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 1120/4885POLB 765/4885IKBKB 2048/4885

“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.