SCHEMBL13056352

SCHEMBL13056352

O=C(O)CN1C(=O)/C(=C/c2ncc(-c3ccc(Br)cc3)s2)SC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.56
▸ PTPN22 Q9Y2R2 2/20 0.50
▸ PTPN12 Q05209 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ NSD2 O96028 1/20 0.49
▸ PLA2G1B P04054 1/20 0.49
▸ DNMT1 P26358 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ ATG4B Q9Y4P1 1/20 0.49

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
SCHEMBL13056368 0.90 MEN1 (0.55) PTPN22PTPN12MEN1POLBKMT2A
SCHEMBL13056349 0.90 MEN1 (0.55) MEN1POLBKMT2APLA2G1BDNMT1
SCHEMBL13056351 0.83 AKR1B1 (0.60) PTPN1PTPN22MEN1POLBKMT2A
SCHEMBL1906468 0.76 PTPN1 (0.56) PTPN1PTPN22PTPN12MEN1POLB
SCHEMBL1906469 0.76 PTPN1 (0.56) PTPN1PTPN22PTPN12MEN1POLB
SCHEMBL13056331 0.75 MAP3K5 (0.78) PTPN22
SCHEMBL8594085 0.75 MAP3K5 (0.78) PTPN22
SCHEMBL8594082 0.75 MAP3K5 (0.78) PTPN22
SCHEMBL13056346 0.73 PTPN22 (0.67) PTPN1PTPN22PTPN12MEN1POLB
SCHEMBL3178417 0.73 PTPN1 (0.93) PTPN1MEN1POLBKMT2ADNMT1

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 PTPN1 3550/4885PTPN22 3261/4885PTPN12 3273/4885
US-20080033025-A1 Inhibition of lethal factor protease activity from anthrax toxin APAF1, ANTXR2, SERPINB1 PTPN1 3550/4885PTPN22 3261/4885PTPN12 3273/4885

“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.

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