SCHEMBL1907110

SCHEMBL1907110

O=C(O)CC1C(=O)/C(=C/c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)s2)SC1=S

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN22 Q9Y2R2 3/20 0.53
▸ PTPN12 Q05209 1/20 0.53
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MMP3 P08254 1/20 0.49
▸ AKR1B1 P15121 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ MMP13 P45452 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
SCHEMBL1907114 1.00 PTPN22 (0.53) PTPN22PTPN12KMT2AMEN1MAPT
SCHEMBL17040401 0.87 PTPN22 (0.56) PTPN22PTPN12KMT2A
SCHEMBL13056346 0.86 PTPN22 (0.67) PTPN22PTPN12KMT2AMEN1MAPT
SCHEMBL17040402 0.86 PTPN22 (0.55) PTPN22PTPN12KMT2A
SCHEMBL12673226 0.84 PTPN22 (0.53) PTPN22KMT2AMEN1MAPTKDM4E
SCHEMBL13326247 0.81 PTPN22 (0.62) PTPN22PTPN12KMT2AMEN1MAPT
SCHEMBL12672984 0.79 PTPN22 (0.53) PTPN22PTPN12KMT2A
SCHEMBL13056341 0.75 PTPN22 (0.70) PTPN22PTPN12KMT2AMEN1POLB
SCHEMBL15330386 0.73 PTPN12 (0.79) PTPN22PTPN12KMT2AMEN1MMP3
SCHEMBL15330387 0.73 PTPN12 (0.79) PTPN22PTPN12KMT2AMEN1MMP3

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 PTPN22 2193/4885PTPN12 1970/4885KMT2A 3345/4885

“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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