SCHEMBL2435983

SCHEMBL2435983

CC1CCC(C(=O)N(c2cc(-c3ccc(NC(=O)c4cc[nH]n4)cc3)sc2C(=O)O)C2CCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.35
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NR4A2 P43354 1/20 0.32
DHODH Q02127 1/20 0.32
PTPN1 P18031 3/20 0.32
PTPRA P18433 2/20 0.31
DGAT1 O75907 1/20 0.31
S1PR1 P21453 1/20 0.31
SPR P35270 1/20 0.31

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
SCHEMBL2435980 1.00 NR1I2 (0.35) NR1I2KDM4EHTTATMNR4A2
SCHEMBL2432963 0.93 KDM4E (0.37) KDM4EHTTATMPTPN1
SCHEMBL2432964 0.93 KDM4E (0.37) KDM4EHTTATMPTPN1
SCHEMBL13630757 0.89 S1PR1 (0.31) S1PR1SPR
SCHEMBL2431477 0.87 DGAT1 (0.34) KDM4EHTTATMPTPN1PTPRA
SCHEMBL2431146 0.87 EZH2 (0.35) KDM4EHTTATMPTPN1PTPRA
SCHEMBL2431148 0.87 EZH2 (0.35) KDM4EHTTATMPTPN1PTPRA
SCHEMBL2433348 0.87 DGAT1 (0.34) KDM4EHTTATMPTPN1PTPRA
SCHEMBL2430841 0.86 CYP2E1 (0.34) KDM4EHTTATMPTPN1PTPRA
SCHEMBL2430839 0.86 CYP2E1 (0.34) KDM4EHTTATMPTPN1PTPRA

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 claimed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US claimed
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 NR1I2 766/4885KDM4E 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.