SCHEMBL2432670

SCHEMBL2432670

COC(=O)c1sc(-c2ccc(NC(=O)c3ccccn3)cc2)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
GRM4 Q14833 5/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
JAK1 P23458 1/20 0.39
TP53 P04637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ADRB2 P07550 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
KDR P35968 1/20 0.37
HPGD P15428 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL2432673 1.00 PTPN1 (0.46) PTPN1GRM4RAB9ANPC1MAPT
SCHEMBL2430579 0.92 GRM4 (0.44) PTPN1GRM4RAB9ANPC1MAPT
SCHEMBL2430852 0.92 GRM4 (0.44) PTPN1GRM4RAB9ANPC1MAPT
SCHEMBL2434440 0.91 RAB9A (0.44) GRM4RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2435744 0.91 RAB9A (0.41) PTPN1GRM4RAB9ANPC1MAPT
SCHEMBL2435764 0.91 KMT2A (0.42) PTPN1GRM4RAB9ANPC1MAPT
SCHEMBL2435749 0.91 RAB9A (0.41) PTPN1GRM4RAB9ANPC1MAPT
SCHEMBL2434442 0.91 RAB9A (0.44) GRM4RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2435762 0.91 KMT2A (0.42) PTPN1GRM4RAB9ANPC1MAPT
SCHEMBL2431286 0.90 GRM4 (0.38) PTPN1GRM4RAB9ANPC1MAPT

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 7 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
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US 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 PTPN1 622/4885GRM4 3141/4885RAB9A 2071/4885

“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.