SCHEMBL23768085

SCHEMBL23768085

CCOC(=O)NC(C)(C)c1ccc(NC(C)C)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.51
▸ GAA P10253 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HCAR3 P49019 5/20 0.45
▸ ALDH1A1 P00352 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 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
SCHEMBL23768084 0.86 POLB (0.54) POLBGAAKDM4EHPGDHCAR3
SCHEMBL21017084 0.85 KDM4E (0.54) POLBGAAKDM4EHPGDALDH1A1
SCHEMBL23768156 0.81 HCAR3 (0.51) POLBKDM4EHCAR3L3MBTL1HCAR2
SCHEMBL21017082 0.74 HCAR3 (0.49) POLBGAAKDM4EHPGDHCAR3
SCHEMBL21016962 0.72 ACACB (0.38) POLBGAAKDM4EHPGDALDH1A1
SCHEMBL26547631 0.72 HCAR3 (0.51) POLBGAAHCAR3ALDH1A1HCAR2
SCHEMBL26798707 0.71 HCAR3 (0.50) GAAHCAR3ALDH1A1HCAR2NPC1
SCHEMBL23768204 0.70 POLB (0.39) POLBGAAKDM4EHPGDALDH1A1
SCHEMBL29021067 0.70 MAPT (0.43) GAAKDM4EHPGDALDH1A1L3MBTL1
SCHEMBL2969420 0.70 GAA (0.51) POLBGAAKDM4EHPGDALDH1A1

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-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2021-08-19 — — 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-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 POLB 3486/4885GAA 4444/4885KDM4E 1208/4885

“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.

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