SCHEMBL2434499

SCHEMBL2434499

COC(=O)c1sc(-c2ccc(NC(=O)c3cccs3)cc2)cc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
RAB9A P51151 8/20 0.44
NPC1 O15118 6/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.42
KDM4E B2RXH2 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.40
ACKR3 P25106 2/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2434497 1.00 PTPN1 (0.45) PTPN1RAB9ANPC1KMT2AMEN1
SCHEMBL2429265 0.92 NPC1 (0.45) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL2429262 0.92 NPC1 (0.45) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL2435331 0.85 KDM4E (0.38) PTPN1RAB9ANPC1KMT2AHTT
SCHEMBL2435327 0.85 KDM4E (0.38) PTPN1RAB9ANPC1KMT2AHTT
SCHEMBL13630948 0.85 PTPN1 (0.45) PTPN1RAB9ANPC1KMT2AMEN1
SCHEMBL2432670 0.85 PTPN1 (0.46) PTPN1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL2432538 0.85 MEN1 (0.45) PTPN1RAB9ANPC1KMT2AMEN1
SCHEMBL2432534 0.85 MEN1 (0.45) PTPN1RAB9ANPC1KMT2AMEN1
SCHEMBL2432673 0.85 PTPN1 (0.46) PTPN1RAB9ANPC1SMN1; SMN2HSD17B10

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 PTPN1 622/4885RAB9A 2071/4885NPC1 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.