SCHEMBL24429353

SCHEMBL24429353

CCCC(C)(C)NS(=O)(=O)c1cc(CC)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 1/20 0.37
GSTO1 P78417 2/20 0.37
SLC12A2 P55011 1/20 0.37
SLC12A5 Q9H2X9 1/20 0.37
GLA P06280 1/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 2/20 0.36
DUT P33316 2/20 0.35
MCL1 Q07820 2/20 0.35
GAA P10253 1/20 0.35
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34

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
SCHEMBL24429393 0.85 MCL1 (0.50) KDM4ETDP1LMNAHPGDALDH1A1
SCHEMBL24429352 0.85 LMNA (0.43) KDM4ETDP1LMNAHPGDALDH1A1
SCHEMBL24429347 0.83 MCL1 (0.41) KDM4ETDP1ALDH1A1GSTO1TSHR
SCHEMBL24429435 0.81 ALDH1A1 (0.42) ALDH1A1TP53
SCHEMBL29651879 0.73 GSTO1 (0.45) LMNAHPGDALDH1A1POLBMAPT
SCHEMBL299708 0.73 GSTO1 (0.45) LMNAHPGDALDH1A1POLBMAPT
SCHEMBL289875 0.72 CA2 (0.50) GSTO1
SCHEMBL10235087 0.71 GSTO1 (0.44) LMNAHPGDALDH1A1POLBMAPT
SCHEMBL22648465 0.71 MCL1 (0.43) KDM4ETDP1ALDH1A1TSHRTP53
Hydrochloric Acid SCHEMBL27871176 0.70 GSTO1 (0.43) LMNAHPGDALDH1A1POLBMAPT

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 KDM4E 1043/4885TDP1 41/4885LMNA 1449/4885

“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.