SCHEMBL2073078

SCHEMBL2073078

CCOC(=O)CP(=O)(OOC)OOC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 6/20 0.41
TRPA1 O75762 1/20 0.41
ALOX15 P16050 4/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
SOAT1 P35610 1/20 0.34
CHRM1 P11229 1/20 0.34
ADORA1 P30542 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 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
SCHEMBL29170740 0.84 NAAA (0.34) ALDH1A1TSHRTDP1LMNACHRM1
SCHEMBL11340245 0.83 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL639641 0.83 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8563167 0.80 ALDH1A1 (0.33) ALDH1A1TSHRPOLB
SCHEMBL6371680 0.80 POLB (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1331297 0.78 TSHR (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18759661 0.78 TSHR (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16047 0.78 TSHR (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2238293 0.78 TSHR (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4333002 0.75 TSHR (0.40) GAAMGAMSIMGAM2ALDH1A1

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 14 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-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 claimed
US-20250266502-A1 LITHIUM-ION BATTERY ELECTROLYTIC SOLUTION, LITHIUM-ION BATTERY, AND METHOD FOR IMPROVING BATTERY PERFORMANCE Guangzhou Tinci Materials Technology Co., Ltd (CN) 2025-08-21 US disclosed
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 GAA 82/4885MGAM 1548/4885SI 2090/4885
US-20070232642-A1 2-AMINO-3,4-DIHYDRO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, PSEN2, BACE1 GAA 95/4885MGAM 2207/4885SI 2177/4885

“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.