SCHEMBL25757435

SCHEMBL25757435

CC(=O)C(F)(F)C(=O)c1ccc(F)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.39
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
PKM P14618 2/20 0.37
MAPT P10636 2/20 0.34
SOS1 Q07889 1/20 0.33
KEAP1 Q14145 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DGAT1 O75907 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 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
SCHEMBL1345954 0.82 CES1 (0.44) F2RCES2CES1PKMMAPT
SCHEMBL21858005 0.79 F2R (0.40) F2RPKMMAPTRAB9ASMN1; SMN2
SCHEMBL29622995 0.79 F2R (0.40) F2RPKMMAPTRAB9ASMN1; SMN2
SCHEMBL120277 0.78 F2R (0.48) F2RCES2CES1PKMMAPT
SCHEMBL30480694 0.78 F2R (0.48) F2RCES2CES1PKMMAPT
SCHEMBL24359829 0.77 CES2 (0.39) F2RCES2CES1PKMMAPT
SCHEMBL26044824 0.75 F2R (0.41) F2RCES2CES1PKMMAPT
SCHEMBL25270267 0.74 CES2 (0.50) F2RCES2CES1PKMMAPT
SCHEMBL31582546 0.73 F2R (0.40) F2RCES2CES1PKMMAPT
SCHEMBL111637 0.72 KEAP1 (0.53) F2RCES2CES1PKMMAPT

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-20230202970-A1 PROCESS OF PREPARING 3-FLUORO-5(((1R,2AR)-3,3,4,4-TETRAFLUORO-1,2A-DIHYDROXY-2,2A,3,4-TETRAHYDRO-1H-CYCLOPENTA[CD]INDEN-7-YL)-OXY)BENZONITRILE NIKANG THERAPEUTIC INC (US) 2023-06-29 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-20230202970-A1 PROCESS OF PREPARING 3-FLUORO-5(((1R,2AR)-3,3,4,4-TETRAFLUORO-1,2A-DIHYDROXY-2,2A,3,4-TETRAHYDRO-1H-CYCLOPENTA[CD]INDEN-7-YL)-OXY)BENZONITRILE CYP4B1, CYP1B1, CYP3A4 F2R 739/4885CES2 1159/4885CES1 1545/4885

“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.