SCHEMBL13056366

SCHEMBL13056366

O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.79
APEX1 P27695 1/20 0.79
MAP3K5 Q99683 3/20 0.76
PTPN22 Q9Y2R2 2/20 0.71
ALDH1A1 P00352 2/20 0.69
LMNA P02545 2/20 0.69
POLB P06746 2/20 0.69
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 1/20 0.69
USP2 O75604 1/20 0.69
RECQL P46063 1/20 0.69
KMT2A Q03164 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
SAE1 Q9UBE0 1/20 0.69
UBA2 Q9UBT2 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
HIF1AN Q9NWT6 1/20 0.66
RAB9A P51151 1/20 0.66
STAT3 P40763 1/20 0.66

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
SCHEMBL3893475 0.91 PTPN22 (0.72) MAPTAPEX1MAP3K5PTPN22MEN1
SCHEMBL3893480 0.91 PTPN22 (0.72) MAPTAPEX1MAP3K5PTPN22MEN1
SCHEMBL16492645 0.91 PTPN22 (0.75) MAPTAPEX1MAP3K5PTPN22MEN1
SCHEMBL3893594 0.90 MEN1 (0.72) MAPTAPEX1MAP3K5PTPN22POLB
SCHEMBL8594082 0.90 MAP3K5 (0.78) MAPTAPEX1MAP3K5PTPN22HIF1AN
SCHEMBL3892576 0.90 HIF1AN (0.81) MAPTAPEX1MAP3K5PTPN22MEN1
SCHEMBL8594085 0.90 MAP3K5 (0.78) MAPTAPEX1MAP3K5PTPN22HIF1AN
SCHEMBL16492646 0.90 PTPN22 (0.71) MAPTAPEX1MAP3K5PTPN22MEN1
SCHEMBL3893592 0.90 STAT3 (0.81) MAPTAPEX1MAP3K5PTPN22MEN1
SCHEMBL13056328 0.90 HIF1AN (0.81) MAPTAPEX1MAP3K5PTPN22MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298390-A1 INHIBITION OF LETHAL FACTOR PROTEASE ACTIVITY FROM ANTHRAX TOXIN BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-25 US disclosed
US-20100298390-A1 INHIBITION OF LETHAL FACTOR PROTEASE ACTIVITY FROM ANTHRAX TOXIN BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-25 US disclosed
US-7718680-B2 Inhibition of lethal factor protease activity from anthrax toxin BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-05-18 US disclosed
US-7718680-B2 Inhibition of lethal factor protease activity from anthrax toxin BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-05-18 US disclosed
US-20080033025-A1 Inhibition of lethal factor protease activity from anthrax toxin NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-02-07 US disclosed
US-20080033025-A1 Inhibition of lethal factor protease activity from anthrax toxin NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-02-07 US 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 (2 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-20100298390-A1 INHIBITION OF LETHAL FACTOR PROTEASE ACTIVITY FROM ANTHRAX TOXIN APAF1, ANTXR2, SERPINB1 MAPT 4512/4885APEX1 1513/4885MAP3K5 2429/4885
US-20080033025-A1 Inhibition of lethal factor protease activity from anthrax toxin APAF1, ANTXR2, SERPINB1 MAPT 4512/4885APEX1 1513/4885MAP3K5 2429/4885

“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.