SCHEMBL21616501

SCHEMBL21616501

Cc1ccc(C(CN)P(=O)(O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
MMP8 P22894 1/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
PMP22 Q01453 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.42
ACP3 P15309 2/20 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
SCHEMBL21616497 0.82 HTR2A (0.47) CA12MMP8LMNACYP1A2MAPT
SCHEMBL21616488 0.81 LMNA (0.64) MMP8LMNACYP1A2MAPTTHRB
SCHEMBL21616509 0.81 GABBR2 (0.46) CA12LMNACYP1A2MAPTTHRB
SCHEMBL21616521 0.80 ACP3 (0.58) ACP3
SCHEMBL21616478 0.80 ACP3 (0.56) CA12CA1TSHRACP3
SCHEMBL2960575 0.80 ACP3 (0.63) ACP3
SCHEMBL2224882 0.78 FFAR1 (0.46) CA12CA1MMP8ACP3
SCHEMBL28002095 0.73 CA12 (0.43) CA12CA1MMP8LMNACYP1A2
SCHEMBL16859932 0.73 ACP3 (0.58) CA12CA1MMP8LMNATSHR
SCHEMBL1552133 0.73 SRC (0.60) CA12CA1MMP8LMNATSHR

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 CA12 1592/4885CA1 623/4885MMP8 4471/4885
US-11401288-B2 Beta-amino phosphonic acid derivative and preparation method therefor AADAT, PHYKPL, AASDHPPT CA12 1592/4885CA1 623/4885MMP8 4471/4885

“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.