SCHEMBL21768043

SCHEMBL21768043

CC(C)(C)OC(=O)NCC(=CF)COc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.50
MAOB P27338 1/20 0.50
MAPT P10636 1/20 0.43
PLA2G4B P0C869 6/20 0.43
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
NR4A2 P43354 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
SRD5A2 P31213 1/20 0.39
PLA2G4A P47712 1/20 0.39

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
SCHEMBL23718599 1.00 AOC3 (0.50) AOC3MAOBMAPTPLA2G4BUSP2
SCHEMBL21780054 1.00 AOC3 (0.50) AOC3MAOBMAPTPLA2G4BUSP2
SCHEMBL21768135 0.89 AOC3 (0.49) AOC3MAOBMAPTMAPK1CA12
SCHEMBL21780044 0.89 AOC3 (0.49) AOC3MAOBMAPTMAPK1CA12
SCHEMBL23718635 0.89 AOC3 (0.49) AOC3MAOBMAPTMAPK1CA12
SCHEMBL23329639 0.88 MAOB (0.46) AOC3MAOBMAPTCA12CA1
SCHEMBL16767234 0.87 MAOB (0.47) AOC3MAOBCA12CA1CA2
SCHEMBL16767233 0.87 MAOB (0.47) AOC3MAOBCA12CA1CA2
SCHEMBL21780050 0.86 AOC3 (0.49) AOC3MAOBMAPK1
SCHEMBL21889843 0.86 MAOB (0.45) AOC3MAOBCA12CA1CA2

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
CN-110352188-B Fluoroallylamine derivatives and use thereof 四川科伦博泰生物医药股份有限公司 2022-11-29 CN disclosed
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 US disclosed
EP-3617186-A1 FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP 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-20200087248-A1 Fluoroallylamine Derivative And Use Thereof VAPB, VAPA, SLC28A1 AOC3 6/4885MAOB 60/4885MAPT 2155/4885

“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.