SCHEMBL2431730

SCHEMBL2431730

Cc1ccncc1C(=O)Nc1ccc(-c2cc(N(C(=O)C3CCC(C)CC3)C(C)C)c(C(=O)O)s2)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.36
BRAF P15056 2/20 0.35
DGAT1 O75907 4/20 0.35
SMYD3 Q9H7B4 1/20 0.35
EZH2 Q15910 1/20 0.34
ABL1 P00519 2/20 0.34
KIT P10721 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL2431723 1.00 ACKR3 (0.36) ACKR3BRAFDGAT1SMYD3EZH2
SCHEMBL2428630 0.94 DGAT1 (0.36) BRAFDGAT1EZH2ABL1KIT
SCHEMBL2428633 0.94 DGAT1 (0.36) BRAFDGAT1EZH2ABL1KIT
SCHEMBL2430828 0.87 SMN1; SMN2 (0.42)
SCHEMBL2430826 0.87 SMN1; SMN2 (0.42)
SCHEMBL2431398 0.87 ITGB1 (0.37) ACKR3DGAT1
SCHEMBL2431812 0.87 CRACR2A (0.40) DGAT1
SCHEMBL2431809 0.87 CRACR2A (0.40) DGAT1
SCHEMBL2430687 0.87 ITGB1 (0.37) ACKR3DGAT1
SCHEMBL2429941 0.86 GRM4 (0.40) ACKR3DGAT1

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 ACKR3 3377/4885BRAF 4549/4885DGAT1 4164/4885

“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.