SCHEMBL19746470

SCHEMBL19746470

Cc1ccc(S(=O)(=O)n2cnc3c(Cl)nc(F)nc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.46
▸ ALDH3A1 P30838 4/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ NOD1 Q9Y239 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ RAPGEF4 Q8WZA2 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CXCL8 P10145 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35

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
SCHEMBL19204899 0.87 P2RX7 (0.61) P2RX7ALDH3A1L3MBTL1NOD1POLB
SCHEMBL28802463 0.86 P2RX7 (0.47) P2RX7ALDH3A1L3MBTL1NOD1POLB
SCHEMBL19745997 0.80 L3MBTL1 (0.48) P2RX7ALDH3A1L3MBTL1NOD1POLB
SCHEMBL29601383 0.79 P2RX7 (0.61) P2RX7ALDH3A1NOD1ALDH1A1PTGS2
SCHEMBL29601246 0.73 P2RX7 (0.57) P2RX7NOD1HTTLMNAALDH1A1
SCHEMBL27902479 0.71 HTT (0.53) P2RX7ALDH3A1L3MBTL1NOD1POLB
SCHEMBL15136400 0.71 XDH (0.62) ALDH3A1L3MBTL1NOD1POLBHTT
SCHEMBL30173097 0.68 CDK1 (0.50) —
SCHEMBL15426836 0.68 L3MBTL1 (0.53) ALDH3A1L3MBTL1NOD1POLBHTT
SCHEMBL27885507 0.68 CYP1A2 (0.47) ALDH3A1L3MBTL1NOD1POLBHTT

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-20190127397-A1 Complexes for Nucleophilic, Radical, and Electrophilic Polyfluoroalkylation THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-05-02 — — US disclosed
WO-2017223406-A1 COMPLEXES FOR NUCLEOPHILIC, RADICAL, AND ELECTROPHILIC POLYFLUOROALKYLATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-12-28 — — 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 (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-20190127397-A1 Complexes for Nucleophilic, Radical, and Electrophilic Polyfluoroalkylation NBAS, PFAS, PCBP1 P2RX7 3515/4885ALDH3A1 2219/4885L3MBTL1 3127/4885

“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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