SCHEMBL2432684

SCHEMBL2432684

CC1CCC(C(=O)N(c2cc(-c3ccc(NC(=O)c4cccnn4)cc3)sc2C(=O)O)C(C)C)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
AHR P35869 1/20 0.37
ACKR3 P25106 1/20 0.36
DGAT1 O75907 4/20 0.34
GRM4 Q14833 1/20 0.34
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
JAK1 P23458 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL2432681 1.00 KMT2A (0.39) KMT2AMEN1AHRACKR3DGAT1
SCHEMBL2435764 0.92 KMT2A (0.42) KMT2AMEN1AHRACKR3GRM4
SCHEMBL2435762 0.92 KMT2A (0.42) KMT2AMEN1AHRACKR3GRM4
SCHEMBL2430579 0.90 GRM4 (0.44) DGAT1GRM4JAK1
SCHEMBL2430852 0.90 GRM4 (0.44) DGAT1GRM4JAK1
SCHEMBL2430834 0.88 MMP13 (0.38) ACKR3DGAT1KDM4E
SCHEMBL2430837 0.88 MMP13 (0.38) ACKR3DGAT1KDM4E
SCHEMBL2432854 0.87 KMT2A (0.39) KMT2AMEN1AHRACKR3GRM4
SCHEMBL2429346 0.87 KMT2A (0.39) KMT2AMEN1AHRACKR3GRM4
SCHEMBL2429941 0.86 GRM4 (0.40) ACKR3DGAT1GRM4

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 KMT2A 2967/4885MEN1 4775/4885AHR 3680/4885

“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.