SCHEMBL2431675

SCHEMBL2431675

COC(=O)c1sc(-c2ccc(NC(=O)c3cnco3)cc2)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
DGAT1 O75907 5/20 0.34
NAMPT P43490 1/20 0.33
F2R P25116 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
AAK1 Q2M2I8 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 3/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
IKBKB O14920 1/20 0.32
TP53 P04637 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL2431677 1.00 KDM4E (0.36) KDM4EHTTATMDGAT1NAMPT
SCHEMBL2435223 0.92 NAMPT (0.37) KDM4EDGAT1NAMPTF2RNPC1
SCHEMBL2435224 0.92 NAMPT (0.37) KDM4EDGAT1NAMPTF2RNPC1
SCHEMBL2432538 0.88 MEN1 (0.45) KDM4EHTTHPGDNPC1RAB9A
SCHEMBL2432534 0.88 MEN1 (0.45) KDM4EHTTHPGDNPC1RAB9A
SCHEMBL13630805 0.86 DGAT1 (0.34) KDM4EDGAT1NAMPTF2RNPC1
SCHEMBL2438099 0.85 KDM4E (0.36) KDM4EHTTATMDGAT1HPGD
SCHEMBL2430822 0.85 KDM4E (0.36) KDM4EHTTATMDGAT1F2R
SCHEMBL2434442 0.85 RAB9A (0.44) HTTHPGDNPC1RAB9AMEN1
SCHEMBL2430818 0.85 KDM4E (0.36) KDM4EHTTATMDGAT1F2R

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 6 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
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 1120/4885HTT 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.