SCHEMBL24429623

SCHEMBL24429623

COc1ccccc1S(=O)(=O)NC(C)C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.59
KDM4E B2RXH2 1/20 0.53
ITGAV P06756 2/20 0.52
HTR6 P50406 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
ACHE P22303 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KAT6A Q92794 1/20 0.47
ACLY P53396 1/20 0.46
SLC40A1 Q9NP59 1/20 0.46
SLC22A12 Q96S37 1/20 0.44
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
PKM P14618 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL4622372 0.82 ITGAV (0.60) NPSR1KDM4EITGAVHTR6ALDH1A1
SCHEMBL4620131 0.82 ITGAV (0.60) NPSR1KDM4EITGAVHTR6ALDH1A1
SCHEMBL4618939 0.82 ITGAV (0.60) NPSR1KDM4EITGAVHTR6ALDH1A1
SCHEMBL2371550 0.79 L3MBTL1 (0.61) ITGAVHTR6CA1CA2KAT6A
SCHEMBL29965203 0.79 L3MBTL1 (0.61) ITGAVHTR6CA1CA2KAT6A
SCHEMBL12962526 0.78 NPSR1 (0.67) NPSR1KDM4EALDH1A1TSHR
SCHEMBL13049842 0.78 L3MBTL1 (0.69) NPSR1KDM4EALDH1A1
SCHEMBL28844042 0.78 HTR6 (0.55) ITGAVHTR6CA1CA2ALDH1A1
SCHEMBL29288590 0.78 HTR6 (0.55) ITGAVHTR6CA1CA2KAT6A
SCHEMBL5501632 0.78 HTR6 (0.55) ITGAVHTR6CA1CA2ACHE

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 NPSR1 4716/4885KDM4E 1043/4885ITGAV 4870/4885

“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.