SCHEMBL25757431

SCHEMBL25757431

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37
CES2 O00748 4/20 0.36
CES1 P23141 4/20 0.36
PKM P14618 2/20 0.36
GPR139 Q6DWJ6 1/20 0.33
GAA P10253 1/20 0.32
PDE2A O00408 1/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
F2R P25116 1/20 0.30
DPP4 P27487 2/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL21857875 0.80 FBP1 (0.39) APLNRPKMMAPTRAB9ASMN1; SMN2
SCHEMBL29622932 0.80 FBP1 (0.39) APLNRPKMMAPTRAB9ASMN1; SMN2
SCHEMBL1343758 0.80 APLNR (0.36) APLNRCES2CES1PKMGPR139
SCHEMBL22922248 0.76 APLNR (0.35) APLNRCES2CES1PKMPDE2A
SCHEMBL28002623 0.73 CES2 (0.37) CES2CES1PKMMAPTNPC1
SCHEMBL6858040 0.72 APLNR (0.43) APLNRCES2CES1PKMGPR139
SCHEMBL30848143 0.72 APLNR (0.43) APLNRCES2CES1PKMGPR139
SCHEMBL2478679 0.72 APLNR (0.43) APLNRCES2CES1PKMGPR139
SCHEMBL3708094 0.72 APLNR (0.43) APLNRCES2CES1PKMGPR139
SCHEMBL27554624 0.71 APLNR (0.40) APLNRCES2CES1PKMGPR139

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 APLNR 4360/4885CES2 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.