SCHEMBL2431494

SCHEMBL2431494

COC(=O)c1sc(-c2ccc(N)c(Cl)c2)cc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
KDM4E B2RXH2 6/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
IKBKB O14920 1/20 0.41
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
HDAC2 Q92769 4/20 0.33
HDAC1 Q13547 3/20 0.33
KMT2A Q03164 3/20 0.33
TP53 P04637 2/20 0.33
HDAC3 O15379 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2431492 1.00 MAPT (0.45) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL2427840 0.88 MAPT (0.44) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL2427841 0.88 MAPT (0.44) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL4147348 0.88 MAPT (0.52) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL4147352 0.88 MAPT (0.52) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL4152684 0.87 MAPT (0.51) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL4152686 0.87 MAPT (0.51) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL2430875 0.85 KDM4E (0.40) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL2430866 0.85 KDM4E (0.40) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL4155593 0.84 KDM4E (0.42) MAPTKDM4ENPC1RAB9ACASP3

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
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
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 MAPT 3802/4885KDM4E 1120/4885NPC1 1898/4885

“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.