SCHEMBL6860971

SCHEMBL6860971

N[C@H]1C[C@@H](C(=O)O)C/C1=C\F

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABAT P80404 2/20 0.55
OAT P04181 1/20 0.50
GABRR1 P24046 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
SCHEMBL14175555 1.00 ABAT (0.55) ABATOATGABRR1
SCHEMBL14175553 1.00 ABAT (0.55) ABATOATGABRR1
SCHEMBL6855757 1.00 ABAT (0.55) ABATOATGABRR1
SCHEMBL22403908 0.81 ABAT (0.50) ABATOATGABRR1
SCHEMBL20049478 0.81 ABAT (0.50) ABATOATGABRR1
SCHEMBL17742867 0.80 OAT (0.54) ABATOATGABRR1
SCHEMBL17742866 0.80 OAT (0.54) ABATOATGABRR1
Cpp-115 Free Base SCHEMBL2407298 0.71 ABAT (1.00) ABATOATGABRR1
Cpp-115 Free Base SCHEMBL2408171 0.71 ABAT (1.00) ABATOATGABRR1
Cpp-115 Free Base SCHEMBL21404893 0.71 ABAT (1.00) ABATOATGABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794413-B1 Compounds and related methods for inhibition of γ-aminobutyric acid aminotransferase NORTHWESTERN UNIVERSITY 2004-09-21 US claimed
US-11207283-B2 Inactivators of toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria NORTHWESTERN UNIVERSITY (US) 2021-12-28 US disclosed
EP-3215144-B1 ORNITHINE AMINOTRANSFERASE INHIBITION WITH GABA ANALOGUES FOR TREATMENT OF HEPATOCELLULAR CARCINOMA UNIV NORTHWESTERN (US) 2021-04-28 EP 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
US-9603820-B2 Ornithine aminotransferase inhibition with GABA analogues for treatment of hepatocellular carcinoma NORTHWESTERN UNIVERSITY (US) 2017-03-28 US disclosed
US-9603820-B2 Ornithine aminotransferase inhibition with GABA analogues for treatment of hepatocellular carcinoma NORTHWESTERN UNIVERSITY (US) 2017-03-28 US disclosed
US-20160128958-A1 Ornithine Aminotransferase Inhibition with GABA Analogues for Treatment of Hepatocellular Carcinoma HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2016-05-12 US disclosed
US-20160128958-A1 Ornithine Aminotransferase Inhibition with GABA Analogues for Treatment of Hepatocellular Carcinoma HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2016-05-12 US disclosed
US-8822539-B2 Combination therapies: inhibitors of GABA transaminase and NKCC1 CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-09-02 US disclosed
US-8822539-B2 Combination therapies: inhibitors of GABA transaminase and NKCC1 CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-09-02 US disclosed
WO-2011126733-A2 COMBINATION THERAPIES: INHIBITORS OF GABA TRANSAMINASE AND NKCC1 CHILDREN'S MEDICAL CENTER CORPORATION (US) 2011-10-13 WO disclosed
US-20110237554-A1 Combination therapies: inhibitors of GABA transaminase and NKCC1 CHILDREN'S MEDICAL CENTER CORPORATION 2011-09-29 US disclosed
US-20110237554-A1 Combination therapies: inhibitors of GABA transaminase and NKCC1 CHILDREN'S MEDICAL CENTER CORPORATION 2011-09-29 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 (5 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-20160128958-A1 Ornithine Aminotransferase Inhibition with GABA Analogues for Treatment of Hepatocellular Carcinoma OAT, OTC, ODC1 ABAT 6/4885OAT 1/4885GABRR1 45/4885
US-20180098952-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA OAT, OTC, ABAT ABAT 3/4885OAT 1/4885GABRR1 96/4885
US-11207283-B2 Inactivators of toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria OAT, OTC, ABAT ABAT 3/4885OAT 1/4885GABRR1 96/4885
US-20110237554-A1 Combination therapies: inhibitors of GABA transaminase and NKCC1 SLC6A1, SLC6A13, SLC6A11 ABAT 31/4885OAT 88/4885GABRR1 41/4885
US-10632088-B2 Inactivators of Toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria OAT, OTC, ABAT ABAT 3/4885OAT 1/4885GABRR1 96/4885

“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.