SCHEMBL19294244

SCHEMBL19294244

Nc1cc(SCc2ccc(N[SH](=O)=O)cc2Cl)c2nn[nH]c2n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 16/20 0.50
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TPO P07202 1/20 0.34
▸ EPX P11678 1/20 0.34

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
SCHEMBL19282236 0.82 KMT2A (0.51) MPOMEN1KMT2ATPOEPX
SCHEMBL19282273 0.81 MPO (0.55) MPOMEN1KMT2ASMN1; SMN2
SCHEMBL19282258 0.80 MPO (0.67) MPOMEN1KMT2ASMN1; SMN2
SCHEMBL19282315 0.80 MPO (0.66) MPOMEN1KMT2ASMN1; SMN2
SCHEMBL19294233 0.80 MPO (0.48) MPOMEN1KMT2ASMN1; SMN2
SCHEMBL19282209 0.76 KMT2A (0.52) MPOMEN1KMT2ASMN1; SMN2
SCHEMBL17594905 0.75 MPO (0.61) MPOMEN1KMT2ASMN1; SMN2TPO
SCHEMBL19282316 0.74 MPO (0.66) MPOMEN1KMT2ATPOEPX
SCHEMBL19282249 0.74 MPO (0.47) MPOSMN1; SMN2TPOEPX
SCHEMBL19294243 0.74 MPO (0.69) MPOTPOEPX

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-20170247343-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-31 — — 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-20170247343-A1 THIOETHER TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MPO 2/4885MEN1 4776/4885KMT2A 1894/4885

“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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