SCHEMBL25512129

SCHEMBL25512129

O=S(=O)(c1ccc(OC(F)F)nc1)n1cc2c(n1)CCC2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MLNR O43193 1/20 0.32
CYP2D6 P10635 1/20 0.32
DAO P14920 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KDM4E B2RXH2 2/20 0.31
PTGDR Q13258 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
GAA P10253 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
SCHEMBL25512043 0.85 SMN1; SMN2 (0.38) ALDH1A1LMNATSHRHTTKDM4E
SCHEMBL23887020 0.83 TRPA1 (0.34) TRPA1ALDH1A1LMNAPOLBTSHR
SCHEMBL30370975 0.83 TRPA1 (0.34) TRPA1ALDH1A1LMNAPOLBTSHR
SCHEMBL25512352 0.82 GPR119 (0.39) ALDH1A1LMNAPOLBTSHRHTT
SCHEMBL25512351 0.78 POLB (0.51) ALDH1A1LMNAPOLBCYP2D6GAA
SCHEMBL25512048 0.77 KDM2B (0.45) ALDH1A1POLB
SCHEMBL25512357 0.75 GPR119 (0.36) TRPA1LMNAPOLBTSHRKDM4E
SCHEMBL25511948 0.72 HTT (0.48) ALDH1A1LMNAPOLBTSHRHTT
SCHEMBL23886726 0.71 USP9X (0.41) TRPA1PTGDR
SCHEMBL30370608 0.71 USP9X (0.41) TRPA1PTGDR

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-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. 2023-05-25 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-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PDK2, PKM TRPA1 2384/4885ALDH1A1 1784/4885LMNA 853/4885

“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.