SCHEMBL25757440

SCHEMBL25757440

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
PKM P14618 2/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KCNN4 O15554 1/20 0.33
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
MAPT P10636 4/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
EPHX1 P07099 1/20 0.32
CES2 O00748 2/20 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
SCHEMBL21858009 0.79 MAPT (0.42) NOTUMPKMMEN1KMT2ASMN1; SMN2
SCHEMBL29622873 0.79 MAPT (0.42) NOTUMPKMMEN1KMT2ASMN1; SMN2
SCHEMBL1345677 0.72 PKM (0.42) NOTUMPKMMEN1KMT2ASMN1; SMN2
SCHEMBL15933087 0.72 NOTUM (0.36) NOTUMPKMMEN1KMT2ASMN1; SMN2
SCHEMBL29775948 0.72 NOTUM (0.46) NOTUMPKMKIF11
SCHEMBL457729 0.72 NOTUM (0.46) NOTUMPKMKIF11
SCHEMBL30848125 0.71 KMT2A (0.39) NOTUMPKMMEN1KMT2ALMNA
SCHEMBL1344537 0.71 KMT2A (0.39) NOTUMPKMMEN1KMT2ALMNA
SCHEMBL11949594 0.70 PTGS1 (0.39) NOTUMPKMMEN1KMT2ASMN1; SMN2
SCHEMBL25757435 0.70 F2R (0.39) PKMKMT2ASMN1; SMN2MAPTNPC1

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 NOTUM 2848/4885PKM 3796/4885MEN1 3361/4885

“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.