SCHEMBL2429376

SCHEMBL2429376

COCC(C)N(C(=O)C1CCC(C(F)(F)F)CC1)c1cc(-c2ccc(NC(=O)c3cscn3)cc2)sc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.34
DGAT1 O75907 5/20 0.33
MET P08581 1/20 0.33
KDR P35968 1/20 0.33
MST1R Q04912 1/20 0.33
CYP2C9 P11712 4/20 0.32
CYP2C8 P10632 2/20 0.32
ACKR3 P25106 1/20 0.32
PI4KB Q9UBF8 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
SCHEMBL2429373 1.00 GRM4 (0.34) GRM4DGAT1METKDRMST1R
SCHEMBL4356618 0.94 GRM4 (0.34) GRM4DGAT1METKDRMST1R
SCHEMBL4356621 0.94 GRM4 (0.34) GRM4DGAT1METKDRMST1R
SCHEMBL2435334 0.92 GRM4 (0.36) GRM4DGAT1
SCHEMBL2433434 0.92 GRM4 (0.36) GRM4DGAT1
SCHEMBL2428548 0.91 DGAT1 (0.36) GRM4DGAT1CYP2C9CYP2C8PI4KB
SCHEMBL2428545 0.91 DGAT1 (0.36) GRM4DGAT1CYP2C9CYP2C8PI4KB
SCHEMBL13630693 0.90 GRM4 (0.34) GRM4DGAT1METKDRMST1R
SCHEMBL2433901 0.87 GRM4 (0.36) GRM4DGAT1CYP2C9CYP2C8PI4KB
SCHEMBL2433905 0.87 GRM4 (0.36) GRM4DGAT1CYP2C9CYP2C8PI4KB

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 8 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-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SmithKline Beecham Corporation (US) 2009-08-12 EP claimed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 WO 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 GRM4 3141/4885DGAT1 4164/4885MET 1266/4885

“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.