SCHEMBL1904243

SCHEMBL1904243

O=C(O)CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.71
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
CTDSP1 Q9GZU7 2/20 0.65
POLB P06746 1/20 0.65
BLM P54132 1/20 0.65
PTPN12 Q05209 4/20 0.63
PTPN22 Q9Y2R2 4/20 0.63
PTPN7 P35236 3/20 0.62
GPR35 Q9HC97 3/20 0.62
PSMD14 O00487 1/20 0.62
MMP2 P08253 1/20 0.62
GPR55 Q9Y2T6 1/20 0.62
DDX3X O00571 1/20 0.62
MAPT P10636 1/20 0.60
AKR1B1 P15121 3/20 0.58
MMP3 P08254 2/20 0.58
PTPN1 P18031 2/20 0.58
MMP13 P45452 2/20 0.58

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
SCHEMBL1904246 1.00 MAPK1 (0.71) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL1904245 1.00 MAPK1 (0.71) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL6886476 0.89 MAPK1 (0.75) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL6886480 0.89 MAPK1 (0.75) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL8208103 0.89 MITF (0.69) MAPK1KMT2AAKR1B1
SCHEMBL8208084 0.89 MITF (0.69) MAPK1KMT2AAKR1B1
SCHEMBL12008556 0.87 PTPN7 (0.74) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL19425577 0.86 MAPK1 (0.55) MAPK1KMT2AMEN1CTDSP1POLB
SCHEMBL6886024 0.86 AKR1B1 (0.70) KMT2AMEN1POLBPSMD14AKR1B1
SCHEMBL6886020 0.86 AKR1B1 (0.70) KMT2AMEN1POLBPSMD14AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947717-B2 Inhibitors of lethal factor protease BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-24 US disclosed
US-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE THE BURNHAM INSTITUTE (US) 2010-01-21 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 (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-20100016292-A1 INHIBITORS OF LETHAL FACTOR PROTEASE APAF1, F11, SERPINB1 MAPK1 2525/4885KMT2A 3345/4885MEN1 1839/4885

“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.