SCHEMBL18502990

SCHEMBL18502990

CC(C)OC(=O)C[C@H](N)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
TSHR P16473 2/20 0.39
PRKCA P17252 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
SLC7A5 Q01650 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL11188765 0.83 LMNA (0.38) LMNAMMP1MMP2MMP3MMP9
SCHEMBL18502988 0.81 LMNA (0.43) LMNAMMP1MMP2MMP3MMP9
SCHEMBL6432055 0.81 LMNA (0.43) LMNAMMP1MMP2MMP3MMP9
SCHEMBL17525660 0.81 LMNA (0.43) LMNAMMP1MMP2MMP3MMP9
SCHEMBL18503008 0.81 MMP1 (0.37) LMNAMMP1MMP2MMP3MMP9
SCHEMBL8989873 0.79 TSHR (0.42) LMNAMMP1MMP2MMP3MMP9
Hydrochloric Acid SCHEMBL28854944 0.79 LMNA (0.42) LMNAMMP1MMP2MMP3MMP9
Hydrochloric Acid SCHEMBL18496190 0.79 LMNA (0.42) LMNAMMP1MMP2MMP3MMP9
SCHEMBL9970576 0.79 TSHR (0.42) LMNAMMP1MMP2MMP3MMP9
SCHEMBL9970276 0.79 TSHR (0.42) LMNAMMP1MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065999-A1 ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2018-03-08 US disclosed
US-9822138-B2 Antiviral beta-amino acid ester phosphodiamide compounds MERCK SHARP & DOHME CORP. (US) 2017-11-21 US disclosed
US-9822138-B2 Antiviral beta-amino acid ester phosphodiamide compounds MERCK SHARP & DOHME CORP. (US) 2017-11-21 US disclosed
US-20170044192-A1 ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
US-20170044192-A1 ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
WO-2017027434-A1 ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-02-16 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-20170044192-A1 ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS POLD1, PEPD, TYMP LMNA 3944/4885MMP1 3442/4885MMP2 2627/4885
US-20180065999-A1 ANTIVIRAL BETA-AMINO ACID ESTER PHOSPHODIAMIDE COMPOUNDS POLD1, PEPD, TYMP LMNA 3944/4885MMP1 3442/4885MMP2 2627/4885

“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.