SCHEMBL23768207

SCHEMBL23768207

CCCCCCCC(C)(CCCCCC)NC(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AA1 P07900 1/20 0.41
EPHX1 P07099 1/20 0.41
GGPS1 O95749 4/20 0.39
FAAH O00519 1/20 0.39
FDPS P14324 6/20 0.38
CASP2 P42575 1/20 0.38

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
SCHEMBL19352943 0.86 CASP2 (0.50) CES2ALDH1A1MEN1MAPTKMT2A
SCHEMBL19728356 0.85 CASP2 (0.48) CES2ALDH1A1MEN1MAPTKMT2A
SCHEMBL10045201 0.84 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2AATM
SCHEMBL19352939 0.82 MAPT (0.41) CES2ALDH1A1MEN1MAPTKMT2A
SCHEMBL18595678 0.82 MEN1 (0.54) CES2MEN1MAPTKMT2AATM
SCHEMBL19271949 0.82 MEN1 (0.54) CES2MEN1MAPTKMT2AATM
SCHEMBL14627854 0.81 MEN1 (0.39) CES2ALDH1A1MEN1MAPTKMT2A
SCHEMBL19728355 0.80 MEN1 (0.40) CES2ALDH1A1MEN1MAPTKMT2A
SCHEMBL19352942 0.80 FDPS (0.41) CES2MEN1MAPTKMT2AATM
SCHEMBL19271954 0.80 MEN1 (0.53) CES2MEN1MAPTKMT2AATM

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 CES2 4395/4885ALDH1A1 4424/4885MEN1 3767/4885

“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.