SCHEMBL20049569

SCHEMBL20049569

COC(=O)c1ccc(C(F)(F)F)c(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.52
EPHX2 P34913 9/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1B Q00975 1/20 0.44
CACNA1C Q13936 1/20 0.44
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
KDM4A O75164 1/20 0.40
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
BRD4 O60885 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL20049606 0.89 EPHX2 (0.46) EPHX2CACNA1HCACNA1BCACNA1CLMNA
SCHEMBL15862086 0.85 KDM4A (0.44) NOTUMEPHX2LMNAKDM4ABRD4
SCHEMBL12230860 0.82 NOTUM (0.45) NOTUMLMNAKDM4ABRD4HDAC10
SCHEMBL1495955 0.82 EPHX2 (0.50) NOTUMEPHX2KDM4A
SCHEMBL16739703 0.82 IDO1 (0.46) CACNA1HCACNA1BCACNA1CLMNAPOLB
SCHEMBL24971039 0.82 CACNA1H (0.46) NOTUMEPHX2CACNA1HCACNA1BCACNA1C
SCHEMBL30159616 0.81 KDM4A (0.41) LMNAKDM4ABRD4HDAC10HDAC6
SCHEMBL23535771 0.81 KDM4A (0.41) LMNAKDM4ABRD4HDAC10HDAC6
SCHEMBL1495846 0.81 EPHX2 (0.49) NOTUMEPHX2LMNAKDM4ABRD4
SCHEMBL20049680 0.81 CACNA1H (0.43) EPHX2CACNA1HCACNA1BCACNA1CLMNA

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 NOTUM 778/4885EPHX2 1576/4885CACNA1H 3422/4885
US-11207283-B2 Inactivators of toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria OAT, OTC, ABAT NOTUM 778/4885EPHX2 1576/4885CACNA1H 3422/4885
US-20200281880-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA OAT, OTC, ABAT NOTUM 778/4885EPHX2 1576/4885CACNA1H 3422/4885
US-10632088-B2 Inactivators of Toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria OAT, OTC, ABAT NOTUM 778/4885EPHX2 1576/4885CACNA1H 3422/4885

“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.