SCHEMBL23330904

SCHEMBL23330904

CC(C)(C)OC(=O)n1cc(Br)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.41
HTR6 P50406 1/20 0.39
GPR119 Q8TDV5 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
KIF11 P52732 1/20 0.37
P2RY14 Q15391 1/20 0.35
MAT2A P31153 1/20 0.33
STS P08842 1/20 0.33
APP P05067 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TACR1 P25103 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL29943539 0.84 HTR6 (0.40) HTR6L3MBTL1
SCHEMBL17097201 0.84 HTR6 (0.40) HTR6L3MBTL1
SCHEMBL23330894 0.83 L3MBTL1 (0.43) HTR6GPR119L3MBTL1
SCHEMBL23330476 0.82 HTR6 (0.40) HTR6L3MBTL1STS
SCHEMBL16727066 0.81 L3MBTL1 (0.46) MAP2K4HTR6GPR119L3MBTL1MAPT
SCHEMBL31370660 0.81 HTR6 (0.40) HTR6L3MBTL1MAPTSTSCNR2
SCHEMBL124286 0.80 HDAC2 (0.41) HTR6L3MBTL1HDAC1
SCHEMBL15566143 0.80 L3MBTL1 (0.40) MAP2K4HTR6GPR119L3MBTL1
SCHEMBL29364313 0.79 L3MBTL1 (0.41) HTR6GPR119L3MBTL1
SCHEMBL29208424 0.79 GPR119 (0.40) HTR6GPR119L3MBTL1

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 EP disclosed
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 WO 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 MAP2K4 4086/4885HTR6 3245/4885GPR119 1372/4885

“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.