SCHEMBL2431528

SCHEMBL2431528

COC(=O)c1sc(-c2ccc(NC(=O)c3ccc(F)cc3)nc2)cc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
IKBKB O14920 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ABL1 P00519 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
DYRK1A Q13627 1/20 0.37
ADORA2B P29275 1/20 0.36
DEGS1 O15121 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL2431526 1.00 KDM4E (0.43) KDM4EKMT2APOLBMEN1IKBKB
SCHEMBL2437167 0.92 RAB9A (0.40) KDM4EKMT2APOLBMEN1NPC1
SCHEMBL2428384 0.92 RAB9A (0.40) KDM4EKMT2APOLBMEN1NPC1
SCHEMBL2494792 0.89 KDM4E (0.47) KDM4EKMT2APOLBMEN1IKBKB
SCHEMBL2494789 0.89 KDM4E (0.47) KDM4EKMT2APOLBMEN1IKBKB
SCHEMBL2433856 0.89 KDM4E (0.41) KDM4EPOLBIKBKBRAB9ATP53
SCHEMBL2433861 0.89 KDM4E (0.41) KDM4EPOLBIKBKBRAB9ATP53
SCHEMBL2435749 0.86 RAB9A (0.41) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL2435744 0.86 RAB9A (0.41) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL4341749 0.85 KMT2A (0.42) KDM4EKMT2APOLBMEN1NPC1

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 5 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
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 KDM4E 1120/4885KMT2A 2967/4885POLB 765/4885

“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.