SCHEMBL29969222

SCHEMBL29969222

[N-]=[N+]=NCC(=O)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CHKA P35790 1/20 0.38
▸ TPSAB1 Q15661 1/20 0.37
▸ TPSD1 Q9BZJ3 1/20 0.37
▸ TPSG1 Q9NRR2 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ CHRNB3 Q05901 1/20 0.37
▸ CHRNA6 Q15825 1/20 0.37
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL19096157 0.89 PKM (0.38) CA2CA12CA1CA9CHKA
SCHEMBL27165476 0.86 ALDH1A1 (0.38) JAK2JAK1SIGMAR1POLBKMT2A
SCHEMBL28360880 0.84 CA2 (0.38) CA2CA12CA1CA9CHKA
SCHEMBL13655626 0.82 ATM (0.45) JAK2JAK1KMT2AGAA
SCHEMBL28395559 0.81 ATM (0.43) JAK2JAK1KMT2AGAA
SCHEMBL28360975 0.81 ATM (0.41) CA2CA12CA1CA9CHKA
SCHEMBL28361039 0.80 GNAI3 (0.41) CA2CA12CA1CA9TPSAB1
SCHEMBL17848825 0.79 MEN1 (0.33) JAK2JAK1SIGMAR1KMT2AGAA
SCHEMBL28364487 0.78 GNAI3 (0.43) TPSAB1TPSD1TPSG1DDB1CRBN
SCHEMBL28360951 0.78 GNAI3 (0.43) TPSAB1TPSD1TPSG1DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12390424-B2 Sulfur (VI) fluoride compounds and methods for the preparation thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2025-08-19 — — US disclosed
CN-111689929-B Sulfur fluoride (VI) compound and preparation method thereof 斯克里普斯研究所 2024-05-31 — — CN disclosed
EP-4295841-A2 SULFUR (VI) FLUORIDE COMPOUNDS AND THEIR USE IN CLICK-REACTION The Scripps Research Institute (US) 2023-12-27 — — EP disclosed
EP-3892610-B1 SULFUR (VI) FLUORIDE COMPOUNDS AND THEIR USE IN CLICK-REACTION SCRIPPS RESEARCH INST (US) 2023-08-16 — — EP disclosed
US-20220313624-A1 SULFUR (VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2022-10-06 — — 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-12390424-B2 Sulfur (VI) fluoride compounds and methods for the preparation thereof GRB2, SCTR, OGFR CA2 342/4885CA12 485/4885CA1 128/4885
US-20220313624-A1 SULFUR (VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF QSOX1, YBX1, SFXN1 CA2 577/4885CA12 907/4885CA1 47/4885

“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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