SCHEMBL8376352

SCHEMBL8376352

CC(Br)(C(=O)O)c1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
SLC6A3 Q01959 1/20 0.39
KCNN4 O15554 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
APP P05067 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
RIPK1 Q13546 2/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL8377598 1.00 CES2 (0.41) CES2CES1SLC6A3KCNN4CA12
SCHEMBL9044136 0.82 KCNN4 (0.53) CES2CES1KCNN4RIPK1NPC1
SCHEMBL12079275 0.82 APP (0.45) CES2CES1SLC6A3KCNN4CA12
SCHEMBL11278233 0.80 MEN1 (0.47) CES2CES1KCNN4MEN1NPC1
SCHEMBL29009976 0.80 CES2 (0.39) CES2CES1SLC6A3KCNN4CA12
SCHEMBL3941437 0.80 CES2 (0.39) CES2CES1SLC6A3KCNN4CA12
SCHEMBL3941432 0.80 CES2 (0.39) CES2CES1SLC6A3KCNN4CA12
Bromomethane SCHEMBL3181697 0.78 CYP2C9 (0.41) CES2CES1SLC6A3KCNN4CA12
SCHEMBL531511 0.77 CES2 (0.52) CES2APPRXRARXRBRXRG
SCHEMBL5966766 0.74 CES2 (0.42) CES2CES1SLC6A3KCNN4CA12

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-20090311318-A1 SUBSTITUTED (S)-BENZOXAZINONES P&H THERAPEUTICS, INC. (US) 2009-12-17 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-20090311318-A1 SUBSTITUTED (S)-BENZOXAZINONES REN, ACE, AGTR1 CES2 778/4885CES1 204/4885SLC6A3 149/4885

“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.