SCHEMBL2430494

SCHEMBL2430494

COC(=O)c1sc(-c2ccc(NC(=O)c3cscn3)c(C(F)(F)F)c2)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.35
TP53 P04637 1/20 0.35
GRM4 Q14833 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
NOTUM Q6P988 1/20 0.31
S1PR1 P21453 1/20 0.30
DHODH Q02127 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MMP12 P39900 1/20 0.30
GPR6 P46095 1/20 0.30

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
SCHEMBL2430497 1.00 RXFP1 (0.35) RXFP1TP53GRM4KDM4EHTT
SCHEMBL2434812 0.93 GRM4 (0.33) GRM4S1PR1DHODH
SCHEMBL2434761 0.93 GRM4 (0.33) GRM4S1PR1DHODH
SCHEMBL2436807 0.91 GRM4 (0.39) RXFP1TP53GRM4KDM4EHTT
SCHEMBL2436809 0.91 GRM4 (0.39) RXFP1TP53GRM4KDM4EHTT
SCHEMBL2431206 0.91 GRM4 (0.43) RXFP1GRM4KDM4EHTTATM
SCHEMBL2431207 0.91 GRM4 (0.43) RXFP1GRM4KDM4EHTTATM
SCHEMBL2431283 0.88 GRM4 (0.38) RXFP1TP53GRM4KDM4EHTT
SCHEMBL2431286 0.88 GRM4 (0.38) RXFP1TP53GRM4KDM4EHTT
SCHEMBL2431840 0.86 KDM4E (0.34) RXFP1TP53GRM4KDM4EHTT

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
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 RXFP1 3498/4885TP53 916/4885GRM4 3141/4885

“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.