SCHEMBL2073077

SCHEMBL2073077

CCOC(=O)C(OC)(OC)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
PKM P14618 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
HTT P42858 1/20 0.34
PIN1 Q13526 1/20 0.33
MMP8 P22894 1/20 0.33
TRPA1 O75762 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
SCHEMBL7829298 0.83 ALDH1A1 (0.37) ALDH1A1PKMMEN1KMT2AKDM4E
SCHEMBL6371677 0.78 DGAT1 (0.34) ALDH1A1LMNAMMP8L3MBTL1
SCHEMBL8563162 0.78 LMNA (0.32) LMNA
SCHEMBL1450701 0.74 CYP4F2 (0.41) ALDH1A1PKMMEN1KMT2AKDM4E
SCHEMBL3364717 0.72 CYP4F2 (0.40) ALDH1A1PKMMEN1KMT2AKDM4E
SCHEMBL28498240 0.72 ALDH1A1 (0.39) ALDH1A1PKMMEN1KMT2AKDM4E
SCHEMBL16048 0.72 CYP4F2 (0.40) ALDH1A1PKMMEN1KMT2AKDM4E
SCHEMBL8563175 0.72 ALDH1A1 (0.38) ALDH1A1HSD17B10TSHR
SCHEMBL21693639 0.72 DGAT1 (0.45) LMNA
SCHEMBL28492515 0.72 ALDH1A1 (0.39) ALDH1A1PKMMEN1KMT2AKDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447355-B Preparation method of milbelin intermediate 南京威凯尔生物医药科技有限公司 2024-03-19 CN claimed
CN-119350171-A Preparation method and application of minogabalin besylate intermediate 北京斯利安药业有限公司 2025-01-24 CN disclosed
CN-117447355-B Preparation method of milbelin intermediate 南京威凯尔生物医药科技有限公司 2024-03-19 CN disclosed
CN-117447355-A Preparation method of milbelin intermediate 南京威凯尔生物医药科技有限公司 2024-01-26 CN disclosed
CN-114402198-A Impurity detection method for 2- ((1S,2S,3R,6S,8S) -2- (aminomethyl) tricyclo [4.2.1.03,8] nonane-2-yl) acetic acid benzene sulfonate or composition thereof 四川海思科制药有限公司 2022-04-26 CN disclosed
WO-2021043117-A1 IMPURITY DETECTION METHOD FOR 2-((1S,2S,3R,6S,8S)-2-(AMINOMETHYL)TRICYCLO[4.2.1.0 3,8]NONANE-2-YL)ACETATE BENZENESULFONATE OR COMPOSITION THEREOF 四川海思科制药有限公司 2021-03-11 WO disclosed
US-7868022-B2 2-amino-quinoline derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-01-11 US disclosed
US-7776882-B2 2-amino-3,4-dihydro-quinoline derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-08-17 US disclosed
US-20080194624-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2008-08-14 US disclosed
US-20070232642-A1 2-AMINO-3,4-DIHYDRO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-10-04 US disclosed
WO-2007092846-A2 2-AMINO-3,4-DIHYDRO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 WO disclosed
WO-2007092854-A2 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 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 (2 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-20080194624-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 ALDH1A1 3765/4885PKM 4274/4885MEN1 992/4885
US-20070232642-A1 2-AMINO-3,4-DIHYDRO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, PSEN2, BACE1 ALDH1A1 3248/4885PKM 4399/4885MEN1 1270/4885

“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.