SCHEMBL184510

SCHEMBL184510

CC(C)CNCc1cccc(CN(CC(C)CCl)C(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.40
ATM Q13315 1/20 0.38
PTGES O14684 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
CA2 P00918 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SLC2A1 P11166 1/20 0.34
BCHE P06276 3/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33

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
SCHEMBL183971 0.85 CA2 (0.42) BACE1PTGESCA2GRIN2DGRIN3B
SCHEMBL184509 0.79 BACE1 (0.34) BACE1ATMPTGESHDAC1HDAC3
SCHEMBL185295 0.74 ACLY (0.48) BACE1CA2
SCHEMBL1800473 0.74 GRIN2D (0.47) BACE1PTGESHDAC1HDAC3HDAC2
SCHEMBL1799273 0.72 BACE1 (0.40) BACE1PTGESHDAC1HDAC3HDAC2
SCHEMBL8127646 0.71 HDAC1 (0.53) BACE1PTGESHDAC1HDAC3HDAC2
SCHEMBL27605380 0.70 GRIN2D (0.49) BACE1PTGESHDAC1HDAC3HDAC2
SCHEMBL1802804 0.70 BACE1 (0.40) BACE1PTGESHDAC1HDAC3HDAC2
SCHEMBL4695439 0.69 HDAC3 (0.49) BACE1PTGESHDAC1HDAC3HDAC2
SCHEMBL19208209 0.69 TSHR (0.48) BACE1PTGESHDAC1HDAC3HDAC2

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-8501992-B2 Hydroxyphenyl sulfonamides as antiapoptotic bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-06 US disclosed
EP-2297103-B1 HYDROXYPHENYLSULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-01-04 EP disclosed
US-20110294793-A1 HYDROXYPHENYL SULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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-20110294793-A1 HYDROXYPHENYL SULFONAMIDES AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 BACE1 580/4885ATM 4129/4885PTGES 1402/4885

“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.