SCHEMBL21853777

SCHEMBL21853777

CC(N)(C(=O)O)[C@H](O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM8 O00222 4/20 0.46
GRM4 Q14833 4/20 0.46
GRM6 O15303 3/20 0.46
TP53 P04637 1/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL25875906 1.00 ACP3 (0.48) ACP3L3MBTL1MEN1HPGDKMT2A
SCHEMBL21853776 1.00 ACP3 (0.48) ACP3L3MBTL1MEN1HPGDKMT2A
SCHEMBL21853774 1.00 ACP3 (0.48) ACP3L3MBTL1MEN1HPGDKMT2A
SCHEMBL9160028 0.82 ALDH1A1 (0.62) L3MBTL1MEN1HPGDKMT2AGRM8
SCHEMBL1067934 0.77 ACP3 (0.50) ACP3L3MBTL1MEN1HPGDKMT2A
SCHEMBL3109358 0.77 AOC3 (0.52) L3MBTL1HPGDSMN1; SMN2LMNACES2
SCHEMBL3109355 0.77 AOC3 (0.52) L3MBTL1HPGDSMN1; SMN2LMNACES2
SCHEMBL1104876 0.76 TSHR (0.52) ACP3L3MBTL1MEN1HPGDKMT2A
SCHEMBL22301338 0.75 ACP3 (0.51) ACP3L3MBTL1MEN1HPGDKMT2A
SCHEMBL27459231 0.75 ACP3 (0.48) ACP3L3MBTL1MEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11274287-B2 Engineered aldolase polypeptides and uses thereof Enzymaster (Ningbo) Bio-Engineering Co., Ltd (CN) 2022-03-15 US disclosed
US-20200123525-A1 ENGINEERED ALDOLASE POLYPEPTIDES AND USES THEREOF Enzymaster (Ningbo) Bio-Engineering Co., Ltd (CN) 2020-04-23 US disclosed
CN-110914288-A Engineered aldolase polypeptide and application thereof 宁波酶赛生物工程有限公司 2020-03-24 CN disclosed
CN-110869383-A Engineered polypeptide and application thereof in synthesis of β -hydroxy- α -amino acid 宁波酶赛生物工程有限公司 2020-03-06 CN 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-11274287-B2 Engineered aldolase polypeptides and uses thereof DERA, ALDOA, TKT ACP3 1149/4885L3MBTL1 1339/4885MEN1 4563/4885
US-20200123525-A1 ENGINEERED ALDOLASE POLYPEPTIDES AND USES THEREOF DERA, ALDOA, TKT ACP3 1149/4885L3MBTL1 1339/4885MEN1 4563/4885

“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.