SCHEMBL13056368

SCHEMBL13056368

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.55
▸ POLB P06746 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ NSD2 O96028 1/20 0.52
▸ PTPN22 Q9Y2R2 2/20 0.50
▸ PTPN12 Q05209 1/20 0.50

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
SCHEMBL13056352 0.90 PTPN1 (0.56) MEN1POLBKMT2ANSD2PTPN22
SCHEMBL13056349 0.90 MEN1 (0.55) MEN1POLBKMT2A
SCHEMBL13056351 0.83 AKR1B1 (0.60) MEN1POLBKMT2APTPN22
SCHEMBL14426474 0.79 PTPN12 (0.77) MEN1POLBKMT2APTPN22PTPN12
SCHEMBL1901418 0.76 MEN1 (0.52) MEN1POLBKMT2ANSD2PTPN22
SCHEMBL1901415 0.76 MEN1 (0.52) MEN1POLBKMT2ANSD2PTPN22
SCHEMBL3893594 0.75 MEN1 (0.72) MEN1POLBKMT2APTPN22
SCHEMBL3893590 0.75 MEN1 (0.72) MEN1POLBKMT2APTPN22
SCHEMBL13056346 0.73 PTPN22 (0.67) MEN1POLBKMT2APTPN22PTPN12
SCHEMBL1905824 0.73 KMT2A (0.80) MEN1POLBKMT2A

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 MEN1 2660/4885POLB 3499/4885KMT2A 3456/4885
US-20080033025-A1 Inhibition of lethal factor protease activity from anthrax toxin APAF1, ANTXR2, SERPINB1 MEN1 2660/4885POLB 3499/4885KMT2A 3456/4885

“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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