SCHEMBL21730499

SCHEMBL21730499

CC(C)C#CC(=O)NCC1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
NAMPT P43490 4/20 0.37
ROCK2 O75116 1/20 0.35
HDAC4 P56524 1/20 0.34
GSK3B P49841 1/20 0.34
NCF1 P14598 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAP4K4 O95819 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL21730586 0.85 SIGMAR1 (0.39) NCF1KCNH2
SCHEMBL21730502 0.81 SIGMAR1 (0.43) EPHX1KCNH2
SCHEMBL2660481 0.78 NCF1 (0.42) MAPTNAMPTHDAC4GSK3BNCF1
SCHEMBL9891801 0.76 MAPT (0.44) MAPTNAMPTROCK2HDAC4GSK3B
SCHEMBL16494745 0.73 CYP2D6 (0.50) MAPTNAMPTHDAC4GSK3BNCF1
SCHEMBL8136269 0.73 MTNR1A (0.45) MAPTNAMPTHDAC4GSK3BNCF1
SCHEMBL22519427 0.73 SMN1; SMN2 (0.49) MAPTNAMPTROCK2HDAC4GSK3B
SCHEMBL21730567 0.72 CHRNB4 (0.44) MAPTNAMPTROCK2HDAC4GSK3B
SCHEMBL23173065 0.72 MAPT (0.43) MAPTNAMPTHDAC4GSK3BNCF1
SCHEMBL13621194 0.72 TDP1 (0.67) MAPTNAMPTHDAC4GSK3BNCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-08-22 US disclosed
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-08-22 US disclosed
US-20230029557-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-02-02 US disclosed
US-11066420-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-20 US disclosed
US-20200055875-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-20 US 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 (4 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-20230029557-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO MAPT 3025/4885NAMPT 561/4885ROCK2 1549/4885
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO MAPT 3025/4885NAMPT 561/4885ROCK2 1549/4885
US-20200055875-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LMPTP) AND USES THEREOF ACP1, PTPRCAP, PTPRO MAPT 3025/4885NAMPT 561/4885ROCK2 1549/4885
US-11066420-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO MAPT 3025/4885NAMPT 561/4885ROCK2 1549/4885

“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.