SCHEMBL2494792

SCHEMBL2494792

COC(=O)c1sc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
IKBKB O14920 1/20 0.44
ATM Q13315 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN11 Q06124 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.40
DGAT1 O75907 1/20 0.40
PTPN1 P18031 2/20 0.39
HTT P42858 1/20 0.38
ACKR3 P25106 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CISD2 Q8N5K1 1/20 0.37

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
SCHEMBL2494789 1.00 KDM4E (0.47) KDM4EIKBKBATMNPC1RAB9A
SCHEMBL2428609 0.92 PTPN2 (0.42) KDM4ENPC1RAB9AMAPTPTPN2
SCHEMBL2432620 0.92 PTPN2 (0.42) KDM4ENPC1RAB9AMAPTPTPN2
SCHEMBL2432209 0.90 DGAT1 (0.42) KDM4EIKBKBATMNPC1RAB9A
SCHEMBL2432206 0.90 DGAT1 (0.42) KDM4EIKBKBATMNPC1RAB9A
SCHEMBL2431528 0.89 KDM4E (0.43) KDM4EIKBKBNPC1RAB9ATP53
SCHEMBL2431526 0.89 KDM4E (0.43) KDM4EIKBKBNPC1RAB9ATP53
SCHEMBL2431444 0.88 KDM4E (0.46) KDM4EIKBKBATMRAB9ATP53
SCHEMBL2431438 0.88 KDM4E (0.46) KDM4EIKBKBATMRAB9ATP53
SCHEMBL2435331 0.88 KDM4E (0.38) KDM4EATMNPC1RAB9AMAPT

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 4 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
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 1120/4885IKBKB 2048/4885ATM 4195/4885

“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.