SCHEMBL24429451

SCHEMBL24429451

CC(C)(C)NS(=O)(=O)Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
THRB P10828 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL7461728 0.81 CA1 (0.40) KMT2AALDH1A1CYP3A4CA1CA2
SCHEMBL634086 0.81 CA1 (0.57) KMT2AALDH1A1KDM4EHPGDCA1
SCHEMBL10153979 0.79 KMT2A (0.53) KMT2ALMNAL3MBTL1CA1CA2
SCHEMBL24429452 0.77 KMT2A (0.51) KMT2AALDH1A1LMNAL3MBTL1CA1
SCHEMBL7464920 0.76 MAPT (0.48) KMT2ACA1CA2CA9BCHE
SCHEMBL24425791 0.76 KMT2A (0.50) KMT2ALMNAL3MBTL1CA1CA2
SCHEMBL27516407 0.75 KMT2A (0.53) KMT2AKDM4ELMNACA1CA2
SCHEMBL10147479 0.75 L3MBTL1 (0.43) KMT2AALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL16914874 0.75 CA1 (0.64) KMT2ALMNAHPGDCA1CA2
SCHEMBL13234055 0.74 KMT2A (0.49) KMT2AALDH1A1MAPK1LMNAHPGD

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 KMT2A 3650/4885ALDH1A1 2438/4885CYP3A4 3675/4885

“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.