SCHEMBL13056341

SCHEMBL13056341

O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccccc3)s2)SC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN22 Q9Y2R2 3/20 0.70
▸ MMP3 P08254 2/20 0.58
▸ AKR1B1 P15121 2/20 0.58
▸ PTPN1 P18031 2/20 0.58
▸ MMP13 P45452 2/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ PTPN12 Q05209 1/20 0.57

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
SCHEMBL13056344 0.90 PTPN22 (0.70) PTPN22MEN1POLBKMT2A
SCHEMBL12661916 0.89 PTPN22 (0.68) PTPN22KMT2APTPN12
SCHEMBL13056346 0.87 PTPN22 (0.67) PTPN22MMP3AKR1B1PTPN1MMP13
SCHEMBL12661919 0.87 PTPN22 (0.66) PTPN22KMT2APTPN12
SCHEMBL3135706 0.85 TNFRSF1A (0.57) PTPN22PTPN1MEN1POLBKMT2A
SCHEMBL3135714 0.85 TNFRSF1A (0.57) PTPN22PTPN1MEN1POLBKMT2A
SCHEMBL3135718 0.85 TNFRSF1A (0.57) PTPN22PTPN1MEN1POLBKMT2A
SCHEMBL1901692 0.85 PTPN22 (0.61) PTPN22MMP3AKR1B1PTPN1MMP13
SCHEMBL1901689 0.85 PTPN22 (0.61) PTPN22MMP3AKR1B1PTPN1MMP13
SCHEMBL1901690 0.85 PTPN22 (0.61) PTPN22MMP3AKR1B1PTPN1MMP13

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 PTPN22 3261/4885MMP3 98/4885AKR1B1 2323/4885
US-20080033025-A1 Inhibition of lethal factor protease activity from anthrax toxin APAF1, ANTXR2, SERPINB1 PTPN22 3261/4885MMP3 98/4885AKR1B1 2323/4885

“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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