SCHEMBL24429366

SCHEMBL24429366

COCCN(CCOC)[C@H]1CC[C@H](S)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
PIK3CD O00329 1/20 0.33
CHI3L1 P36222 1/20 0.32
KCNH2 Q12809 1/20 0.31
CHIT1 Q13231 1/20 0.31
CHIA Q9BZP6 1/20 0.31

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
SCHEMBL24429364 0.81 SLC6A2 (0.36) SLC6A2SLC6A4PIK3CDCHI3L1KCNH2
SCHEMBL18248893 0.79 SLC6A2 (0.38) SLC6A2SLC6A4PIK3CDCHI3L1KCNH2
SCHEMBL22200611 0.79 SLC6A2 (0.35) SLC6A2SLC6A4PIK3CDCHI3L1KCNH2
SCHEMBL22200610 0.78 SLC6A2 (0.37) SLC6A2SLC6A4PIK3CDCHI3L1KCNH2
SCHEMBL24429539 0.78 SLC6A2 (0.35) SLC6A2SLC6A4PIK3CDCHI3L1KCNH2
SCHEMBL24429521 0.76 SLC6A2 (0.37) SLC6A2SLC6A4PIK3CDCHI3L1KCNH2
SCHEMBL21386060 0.76 SLC6A2 (0.34) SLC6A2SLC6A4PIK3CDCHI3L1KCNH2
SCHEMBL21038725 0.75 SLC6A2 (0.55) SLC6A2SLC6A4PIK3CDKCNH2CHIT1
SCHEMBL5857573 0.75 SLC6A2 (0.35) SLC6A2SLC6A4PIK3CDCHI3L1KCNH2
SCHEMBL14160972 0.75 ALDH1A1 (0.41)

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-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-05-19 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-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition XBP1, ERN1, ERN2 SLC6A2 4865/4885SLC6A4 4860/4885PIK3CD 2206/4885

“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.