SCHEMBL26538249

SCHEMBL26538249

CCC(C)(C)Nc1ccc(OC(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
PIM1 P11309 2/20 0.37
SCN10A Q9Y5Y9 4/20 0.36
KCNH2 Q12809 4/20 0.36
SCN9A Q15858 3/20 0.36
SCN5A Q14524 2/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TRPA1 O75762 1/20 0.36
CASR P41180 1/20 0.36
VNN1 O95497 1/20 0.35
LMNA P02545 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
ABL1 P00519 2/20 0.35
BCR P11274 2/20 0.35

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
SCHEMBL21016978 0.84 SCN10A (0.39) SCN10AKCNH2SCN9ASCN5ASCN1A
SCHEMBL20668631 0.80 PIM1 (0.50) L3MBTL1PIM1HPGDTRPA1VNN1
SCHEMBL23768234 0.80 HCAR3 (0.45) L3MBTL1PIM1SCN9ATRPA1VNN1
Hydrochloric Acid SCHEMBL29005140 0.76 HCAR3 (0.40) L3MBTL1SCN10AKCNH2SCN9ASCN5A
SCHEMBL26551340 0.74 CYP1A2 (0.40) L3MBTL1SCN10AKCNH2SCN9ASCN5A
SCHEMBL21794183 0.73 SCN10A (0.42) L3MBTL1SCN10AKCNH2SCN9ASCN5A
SCHEMBL26547350 0.73 HCAR3 (0.45) SCN10ASCN9ATRPA1ABL1BCR
SCHEMBL24587295 0.72 SCN9A (0.48) L3MBTL1SCN9ALMNAABL1CYP1A2
SCHEMBL21017442 0.71 VNN1 (0.36) KDM4EHPGDVNN1
SCHEMBL20098722 0.70 MBOAT4 (0.45) L3MBTL1SCN10AKCNH2SCN9ASCN5A

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-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 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-11787779-B2 Sulfone pyridine alkyl amide-substituted heteroaryl compounds TYK2, JAK3, JAK2 L3MBTL1 3943/4885PIM1 209/4885SCN10A 2108/4885

“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.