SCHEMBL20049207

SCHEMBL20049207

CC(C)(C)OC(=O)NCc1c(CC(=O)O)cccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
PTGS2 P35354 2/20 0.44
CACNA1H O95180 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1C Q13936 1/20 0.41
KCNA5 P22460 1/20 0.41
P2RX7 Q99572 10/20 0.40
KDM4A O75164 1/20 0.39
NQO2 P16083 1/20 0.39
RPS6KA1 Q15418 1/20 0.39
SCN9A Q15858 1/20 0.37
EPHX2 P34913 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
SCHEMBL20049210 0.89 LMNA (0.47) LMNAPOLBCACNA1HCACNA1BCACNA1C
SCHEMBL21135383 0.82 POLB (0.49) LMNAPOLBCACNA1HCACNA1BCACNA1C
SCHEMBL29592899 0.82 POLB (0.49) LMNAPOLBCACNA1HCACNA1BCACNA1C
SCHEMBL20269379 0.81 POLB (0.44) LMNAPOLBCACNA1HCACNA1BCACNA1C
SCHEMBL20380317 0.80 LMNA (0.59) LMNAPOLBCACNA1HCACNA1BCACNA1C
SCHEMBL20049741 0.80 PTGS2 (0.50) PTGS2P2RX7EPHX2
SCHEMBL29430481 0.79 KCNA5 (0.53) KCNA5KDM4ANQO2
SCHEMBL825511 0.79 KCNA5 (0.53) KCNA5KDM4ANQO2
SCHEMBL20289154 0.76 POLB (0.40) LMNAPOLBCACNA1HCACNA1BCACNA1C
SCHEMBL20049678 0.76 NR1H2 (0.45) LMNAPOLBCACNA1HCACNA1BCACNA1C

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 LMNA 4522/4885POLB 872/4885PTGS2 1138/4885
US-11207283-B2 Inactivators of toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria OAT, OTC, ABAT LMNA 4522/4885POLB 872/4885PTGS2 1138/4885
US-20200281880-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA OAT, OTC, ABAT LMNA 4522/4885POLB 872/4885PTGS2 1138/4885
US-10632088-B2 Inactivators of Toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria OAT, OTC, ABAT LMNA 4522/4885POLB 872/4885PTGS2 1138/4885

“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.