SCHEMBL20049680

SCHEMBL20049680

COC(=O)Cc1ccc(C(F)(F)F)c(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNA1C Q13936 1/20 0.43
GLS O94925 2/20 0.40
PDK2 Q15119 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
EPHX2 P34913 4/20 0.39
KDM4A O75164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KCNA5 P22460 1/20 0.38
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NAMPT P43490 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL20049678 0.89 NR1H2 (0.45) CACNA1HCACNA1BCACNA1CGLSLMNA
SCHEMBL15862359 0.86 GAA (0.43) GLSALDH1A1GAAGFERKDM4A
SCHEMBL2986153 0.84 ALDH1A1 (0.51) GLSALDH1A1GAAGFERKDM4A
SCHEMBL14420097 0.81 ALDH1A1 (0.48) PDK2LMNAALDH1A1GAAGFER
SCHEMBL20049569 0.81 NOTUM (0.52) CACNA1HCACNA1BCACNA1CLMNAPOLB
SCHEMBL24971039 0.80 CACNA1H (0.46) CACNA1HCACNA1BCACNA1CLMNAPOLB
SCHEMBL16739703 0.80 IDO1 (0.46) CACNA1HCACNA1BCACNA1CLMNAPOLB
SCHEMBL5209897 0.79 L3MBTL1 (0.52) LMNAALDH1A1GAAKDM4AL3MBTL1
SCHEMBL20049606 0.79 EPHX2 (0.46) CACNA1HCACNA1BCACNA1CLMNAPOLB
SCHEMBL8786913 0.77 GLS (0.57) GLSKDM4ANAMPT

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-11207283-B2 Inactivators of toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria NORTHWESTERN UNIVERSITY (US) 2021-12-28 US disclosed
US-20200281880-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA NORTHWESTERN UNIVERSITY (US) 2020-09-10 US disclosed
US-10632088-B2 Inactivators of Toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria NORTHWESTERN UNIVERSITY (US) 2020-04-28 US disclosed
US-20180098952-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA NORTHWESTERN UNIVERSITY (US) 2018-04-12 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-20180098952-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA OAT, OTC, ABAT CACNA1H 3422/4885CACNA1B 4553/4885CACNA1C 4612/4885
US-11207283-B2 Inactivators of toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria OAT, OTC, ABAT CACNA1H 3422/4885CACNA1B 4553/4885CACNA1C 4612/4885
US-20200281880-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA OAT, OTC, ABAT CACNA1H 3422/4885CACNA1B 4553/4885CACNA1C 4612/4885
US-10632088-B2 Inactivators of Toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria OAT, OTC, ABAT CACNA1H 3422/4885CACNA1B 4553/4885CACNA1C 4612/4885

“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.