SCHEMBL24429412

SCHEMBL24429412

CC(C)(C)NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.48
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AHR P35869 1/20 0.43
ALOX5AP P20292 3/20 0.42
FEN1 P39748 3/20 0.42
PIK3CB P42338 1/20 0.42

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
SCHEMBL24429345 0.85 ALDH1A1 (0.50) CCR2ALDH1A1CYP3A4CYP2C9MAPK1
SCHEMBL1794606 0.84 ALDH1A1 (0.46) CCR2ALDH1A1CYP3A4CYP2C9MAPK1
SCHEMBL8023235 0.84 MCL1 (0.51) ALDH1A1CYP3A4CYP2C9MAPK1POLB
SCHEMBL24429413 0.82 CCR2 (0.59) CCR2ALDH1A1
SCHEMBL21929678 0.82 MAPT (0.41) CCR2ALDH1A1CYP3A4CYP2C9MAPK1
SCHEMBL14930239 0.82 NMT1 (0.54) CCR2ALDH1A1CYP3A4CYP2C9MAPK1
SCHEMBL14676434 0.82 KCNH2 (0.46) CCR2ALDH1A1POLBKCNH2AHR
SCHEMBL2371266 0.81 CCR2 (0.53) CCR2ALDH1A1POLBKCNH2LMNA
SCHEMBL16259891 0.80 CNR1 (0.43) CCR2ALDH1A1CYP3A4CYP2C9MAPK1
SCHEMBL2929280 0.80 ALDH1A1 (0.45) CCR2ALDH1A1CYP3A4CYP2C9MAPK1

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 CCR2 1323/4885ALDH1A1 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.