SCHEMBL24371401

SCHEMBL24371401

CC(C)c1ccc2c(c1)SCCS2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TRPA1 O75762 1/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 2/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
HIF1A Q16665 1/20 0.36
RNASEH1 O60930 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SCN4A P35499 1/20 0.34
TYR P14679 3/20 0.33
KIF11 P52732 1/20 0.32
HPGD P15428 2/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL25728849 0.78 LMNA (0.35) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL5527473 0.78 LMNA (0.35) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL12856649 0.75 LMNA (0.43) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL23746866 0.75 LMNA (0.43) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL13035785 0.74 CTNNB1 (0.43) LMNATRPA1PTGS1CACNA1CHTT
SCHEMBL24654710 0.74 ALDH1A1 (0.49) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL12715250 0.72 RARA (0.44) HPGDGFERHSD17B10CYP3A4
SCHEMBL10364083 0.72 KDM4E (0.58) LMNAALDH1A1ALOX12HTTRNASEH1
SCHEMBL12424583 0.72 CA1 (0.33) CA1CA2
SCHEMBL25021987 0.71 LMNA (0.36) LMNATRPA1PTGS1CACNA1CALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
WO-2022084741-A1 CFTR MODULATOR COMPOUNDS, COMPOSITIONS, AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-28 WO 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A LMNA 4118/4885TRPA1 262/4885PTGS1 150/4885

“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.