SCHEMBL13081727

SCHEMBL13081727

O=C(O)CN1C(=O)/C(=C/C2=CCC(c3ccc(Br)cc3)O2)SC1=S

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.48
PTPN1 P18031 1/20 0.48
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL13082002 0.90 KMT2A (0.51) PTPN12PTPN22KMT2AMEN1POLB
SCHEMBL13855614 0.81 CISD1 (0.44) POLBMAPT
SCHEMBL8337812 0.77 PTPN12 (0.43) PTPN12PTPN22KMT2AKDM4EMEN1
SCHEMBL13081954 0.75 PLG (0.49) KMT2AMEN1POLBMAPT
SCHEMBL8334697 0.72 KMT2A (0.53) PTPN12PTPN22KMT2AKDM4EMEN1
SCHEMBL8594082 0.71 MAP3K5 (0.78) PTPN22MAPT
SCHEMBL13056331 0.71 MAP3K5 (0.78) PTPN22MAPT
SCHEMBL8594085 0.71 MAP3K5 (0.78) PTPN22MAPT
SCHEMBL10507869 0.71 PTPN12 (0.53) PTPN12PTPN22PTPN1KMT2AMEN1
SCHEMBL1906469 0.70 PTPN1 (0.56) PTPN12PTPN22PTPN1KMT2AMEN1

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 1 patent. 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

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-20100298390-A1 INHIBITION OF LETHAL FACTOR PROTEASE ACTIVITY FROM ANTHRAX TOXIN APAF1, ANTXR2, SERPINB1 PTPN12 3273/4885PTPN22 3261/4885PTPN1 3550/4885

“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.