SCHEMBL2430622

SCHEMBL2430622

COCC(C)N(c1cc(-c2ccc(NC(=O)c3cn(C)cn3)cc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
MAP3K7 O43318 1/20 0.33
DGAT1 O75907 5/20 0.32
S1PR1 P21453 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
MET P08581 1/20 0.31
KDR P35968 1/20 0.31
MST1R Q04912 1/20 0.31
SCN9A Q15858 1/20 0.31
SCD O00767 1/20 0.31
SCD5 Q86SK9 1/20 0.31
SLC6A9 P48067 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 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
SCHEMBL2432185 1.00 ACKR3 (0.34) ACKR3PRMT5WDR77MAP3K7DGAT1
SCHEMBL2433246 0.94 ACKR3 (0.34) ACKR3PRMT5WDR77MAP3K7DGAT1
SCHEMBL2433249 0.94 ACKR3 (0.34) ACKR3PRMT5WDR77MAP3K7DGAT1
SCHEMBL2431344 0.91 SMYD3 (0.36) ACKR3PRMT5WDR77DGAT1SMYD3
SCHEMBL2431346 0.91 SMYD3 (0.36) ACKR3PRMT5WDR77DGAT1SMYD3
SCHEMBL13630758 0.90 ACKR3 (0.34) ACKR3PRMT5WDR77DGAT1S1PR1
SCHEMBL2432544 0.88 ALDH1A1 (0.38) ACKR3PRMT5WDR77MAP3K7S1PR1
SCHEMBL2432537 0.88 ALDH1A1 (0.38) ACKR3PRMT5WDR77MAP3K7S1PR1
SCHEMBL2435334 0.87 GRM4 (0.36) DGAT1S1PR1KDM4EHTTATM
SCHEMBL2433434 0.87 GRM4 (0.36) DGAT1S1PR1KDM4EHTTATM

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
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

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 ACKR3 3377/4885PRMT5 1015/4885WDR77 3003/4885

“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.