SCHEMBL26534229

SCHEMBL26534229

CC(C)(C)NC(=O)C1Cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.53
P2RX7 Q99572 1/20 0.49
ANO1 Q5XXA6 4/20 0.45
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
F2 P00734 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CYP2C9 P11712 1/20 0.38
LMNA P02545 1/20 0.38
KCNQ2 O43526 1/20 0.37
FFAR2 O15552 1/20 0.37

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
SCHEMBL21016972 0.81 P2RX7 (0.52) ACKR3P2RX7CYP3A4CYP2C19HDAC4
SCHEMBL13958960 0.80 GLS (0.49) ACKR3P2RX7HDAC4HDAC7HDAC5
SCHEMBL23768192 0.77 P2RX7 (0.49) ACKR3P2RX7POLBHDAC4HDAC7
SCHEMBL13979540 0.74 P2RX7 (0.45) P2RX7HDAC4HDAC7HDAC5
SCHEMBL3136218 0.74 P2RX7 (0.46) P2RX7POLBCYP3A4CYP2C19HDAC4
SCHEMBL14014153 0.73 NPC1 (0.54) ACKR3P2RX7POLBSMN1; SMN2LMNA
SCHEMBL29559032 0.72 ALDH1A1 (0.53) P2RX7HDAC4HDAC7HDAC5SMN1; SMN2
SCHEMBL2083786 0.72 ALDH1A1 (0.53) P2RX7HDAC4HDAC7HDAC5SMN1; SMN2
SCHEMBL20478824 0.72 P2RX7 (0.42) ACKR3P2RX7POLBSMN1; SMN2LMNA
SCHEMBL10833761 0.72 POLB (0.39) ACKR3ANO1POLBCYP3A4CYP2C19

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 2 patents. 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
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 ACKR3 243/4885P2RX7 1667/4885ANO1 4753/4885

“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.