SCHEMBL2431406

SCHEMBL2431406

COC(=O)c1sc(-c2ccc(NC(=O)c3cnccn3)cc2)cc1N(CC1CC1)C(=O)C1CCC(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.41
NPC1 O15118 11/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
JAK1 P23458 1/20 0.39
MAPT P10636 5/20 0.39
USP2 O75604 1/20 0.39
GRM4 Q14833 1/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL2431405 1.00 RAB9A (0.41) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL2431362 0.92 SMN1; SMN2 (0.41) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL2431366 0.92 SMN1; SMN2 (0.41) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL2436040 0.91 PTPN1 (0.45) RAB9ANPC1SMN1; SMN2TP53JAK1
SCHEMBL2436043 0.91 PTPN1 (0.45) RAB9ANPC1SMN1; SMN2TP53JAK1
SCHEMBL2430780 0.87 KMT2A (0.41) RAB9ANPC1KMT2ATP53MAPT
SCHEMBL2430784 0.87 KMT2A (0.41) RAB9ANPC1KMT2ATP53MAPT
SCHEMBL2434442 0.86 RAB9A (0.44) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL2434440 0.86 RAB9A (0.44) RAB9ANPC1SMN1; SMN2KMT2APOLB
SCHEMBL2432217 0.86 KDM4E (0.36) RAB9ANPC1KMT2ATP53MAPT

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 RAB9A 2071/4885NPC1 1898/4885SMN1; SMN2 1772/4885

“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.