SCHEMBL21616488

SCHEMBL21616488

NCC(c1ccc(Cl)cc1)P(=O)(O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
CYP1A2 P05177 2/20 0.64
THRB P10828 2/20 0.64
MAPT P10636 1/20 0.64
PMP22 Q01453 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
GABBR2 O75899 6/20 0.47
GABBR1 Q9UBS5 6/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
NFKB1 P19838 1/20 0.47
DRD3 P35462 1/20 0.47
BLM P54132 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47

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) LMNACYP1A2THRBMAPTPMP22
SCHEMBL21616501 0.81 CA12 (0.43) LMNACYP1A2THRBMAPTPMP22
SCHEMBL21616509 0.81 GABBR2 (0.46) LMNACYP1A2THRBMAPTPMP22
SCHEMBL2960575 0.80 ACP3 (0.63) GABBR2GABBR1ACP3
SCHEMBL21616485 0.79 ACP3 (0.57) LMNACYP1A2THRBMAPTPMP22
Phaclofen SCHEMBL339995 0.78 LMNA (1.00) LMNACYP1A2THRBMAPTPMP22
Phaclofen SCHEMBL10343565 0.77 LMNA (0.97) LMNACYP1A2THRBMAPTPMP22
SCHEMBL21616478 0.77 ACP3 (0.56) TSHRMMP2ACP3
SCHEMBL11497064 0.74 CYP1A2 (0.55) LMNACYP1A2THRBMAPTPMP22
SCHEMBL28002092 0.73 LMNA (0.64) LMNACYP1A2THRBMAPTPMP22

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 LMNA 1441/4885CYP1A2 3944/4885THRB 2093/4885
US-11401288-B2 Beta-amino phosphonic acid derivative and preparation method therefor AADAT, PHYKPL, AASDHPPT LMNA 1441/4885CYP1A2 3944/4885THRB 2093/4885

“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.