SCHEMBL21616478

SCHEMBL21616478

COc1ccc(C(CN)P(=O)(O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.56
ANPEP P15144 2/20 0.47
ERAP2 Q6P179 2/20 0.47
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRM4 Q14833 1/20 0.46
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
AOC3 Q16853 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA12 O43570 1/20 0.43
MMP2 P08253 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL21616493 0.81 L3MBTL1 (0.51) ACP3ALDH1A1AOC3
SCHEMBL21616501 0.80 CA12 (0.43) ACP3TSHRCA1CA12
SCHEMBL21616497 0.78 HTR2A (0.47) ACP3CA12MMP2CA9CA14
SCHEMBL21616509 0.77 GABBR2 (0.46) ACP3CA12MMP2
SCHEMBL21616488 0.77 LMNA (0.64) ACP3TSHRMMP2
SCHEMBL28846652 0.76 ACP3 (0.56) ACP3ANPEPERAP2GRM8GRM6
SCHEMBL2960575 0.76 ACP3 (0.63) ACP3ANPEP
SCHEMBL5746245 0.74 ACP3 (0.62) ACP3GRM8GRM6GRM4ALDH1A1
SCHEMBL5745970 0.74 ACP3 (0.62) ACP3GRM8GRM6GRM4ALDH1A1
SCHEMBL11087848 0.74 ACP3 (0.62) ACP3GRM8GRM6GRM4ALDH1A1

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-11401288-B2 Beta-amino phosphonic acid derivative and preparation method therefor SOOCHOW UNIVERSITY (CN) 2022-08-02 US disclosed
US-20210130376-A1 BETA-AMINO PHOSPHONIC ACID DERIVATIVE AND PREPARATION METHOD THEREFOR SOOCHOW UNIVERSITY (CN) 2021-05-06 US disclosed
CN-108727428-B β -aminophosphonic acid derivatives and process for their preparation 苏州大学 2020-05-08 CN disclosed
WO-2020010586-A1 β-AMINO PHOSPHONIC ACID DERIVATIVE AND PREPARATION METHOD THEREFOR 苏州大学张家港工业技术研究院 2020-01-16 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-20210130376-A1 BETA-AMINO PHOSPHONIC ACID DERIVATIVE AND PREPARATION METHOD THEREFOR AADAT, PHYKPL, AASDHPPT ACP3 1006/4885ANPEP 24/4885ERAP2 1324/4885
US-11401288-B2 Beta-amino phosphonic acid derivative and preparation method therefor AADAT, PHYKPL, AASDHPPT ACP3 1006/4885ANPEP 24/4885ERAP2 1324/4885

“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.