SCHEMBL7100600

SCHEMBL7100600

CN(C)S(=O)(=O)n1cnc(B(O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2591258 0.74 GAA (0.49) HTTGAAKDM4ETSHRSMN1; SMN2
SCHEMBL6755229 0.73 HTT (0.44) HTTGAAKDM4ETSHRSMN1; SMN2
SCHEMBL4045244 0.73 HTT (0.44) HTTGAAKDM4ETSHRSMN1; SMN2
SCHEMBL2383891 0.73 HTT (0.44) HTTGAAKDM4ETSHRSMN1; SMN2
SCHEMBL9125151 0.72 HTT (0.41) HTTGAAKDM4ETSHRSMN1; SMN2
SCHEMBL9734970 0.72 HTT (0.41) HTTGAAKDM4ETSHRSMN1; SMN2
SCHEMBL31531675 0.71 HTT (0.40) HTTGAAKDM4ETSHRSMN1; SMN2
SCHEMBL633115 0.70 HTT (0.42) HTTGAAKDM4ETSHRSMN1; SMN2
SCHEMBL25836668 0.70 HTT (0.42) HTTGAAKDM4ETSHRSMN1; SMN2
SCHEMBL13208612 0.70 HTT (0.42) HTTGAAKDM4ETSHRSMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228465-A1 SUBSTITUTED PYRIDINE N-OXIDE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-11919881-B2 Substituted pyridine N-oxide derivatives useful as a factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-03-05 US disclosed
US-20220315561-A1 SUBSTITUTED PYRIDINE N-OXIDE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-10-06 US disclosed
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 US disclosed
EP-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP disclosed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 WO disclosed
EP-1102754-A1 IMIDAZOLES AND RELATED COMPOUNDS AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-05-30 EP disclosed
WO-2000007997-A1 IMIDAZOLES AND RELATED COMPOUNDS AS α1A AGONISTS ABBOTT LABORATORIES (US) 2000-02-17 WO 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 (4 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-20240228465-A1 SUBSTITUTED PYRIDINE N-OXIDE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS F11, F2, KLKB1 HTT 4812/4885GAA 3656/4885KDM4E 729/4885
US-11919881-B2 Substituted pyridine N-oxide derivatives useful as a factor XIa inhibitors F11, F2, KLKB1 HTT 4812/4885GAA 3656/4885KDM4E 729/4885
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A HTT 4621/4885GAA 2831/4885KDM4E 823/4885
US-20220315561-A1 SUBSTITUTED PYRIDINE N-OXIDE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS F11, F2, KLKB1 HTT 4812/4885GAA 3656/4885KDM4E 729/4885

“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.