SCHEMBL12689554

SCHEMBL12689554

N[C@H]1C[C@@H](C(=O)O)CC1=C(C(F)(F)F)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OAT P04181 1/20 1.00
ABAT P80404 2/20 0.66
GABRR1 P24046 1/20 0.34

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
Hydrochloric Acid SCHEMBL22440735 0.98 OAT (0.97) OATABATGABRR1
SCHEMBL22459920 0.86 OAT (0.76) OATABATGABRR1
SCHEMBL22459885 0.86 OAT (0.76) OATABATGABRR1
SCHEMBL22460134 0.81 OAT (0.69) OATABATGABRR1
SCHEMBL22459893 0.81 OAT (0.69) OATABATGABRR1
SCHEMBL22459897 0.80 OAT (0.67) OATABATGABRR1
Cpp-115 Free Base SCHEMBL2407298 0.79 ABAT (1.00) OATABATGABRR1
Cpp-115 Free Base SCHEMBL21404893 0.79 ABAT (1.00) OATABATGABRR1
Cpp-115 Free Base SCHEMBL2408171 0.79 ABAT (1.00) OATABATGABRR1
Cpp-115 Free Base SCHEMBL12258069 0.79 ABAT (1.00) OATABATGABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021062048-A2 METHODS AND SYSTEMS FOR MODULATING HEPATIC GABA PRODUCTION OR RELEASE TO ALTER FOOD INTAKE IN MONOGASTRIC SPECIES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-04-01 WO claimed
US-20230128194-A1 METHODS AND COMPOSITIONS TO ALTER HEPATIC GABA RELEASE TO TREAT OBESITY-RELATED CONDITIONS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-04-27 US disclosed
US-11207283-B2 Inactivators of toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria NORTHWESTERN UNIVERSITY (US) 2021-12-28 US disclosed
US-11203596-B2 Analogs of 3-amino-4-(propan-2-ylidene)cyclopentane-1-carboxylic acid and uses thereof for treating diseases and disorders associated with ornithine aminotransferase activity NORTHWESTERN UNIVERSITY (US) 2021-12-21 US disclosed
WO-2021203033-A2 METHODS AND COMPOSITIONS TO ALTER HEPATIC GABA RELEASE TO TREAT OBESITY-RELATED CONDITIONS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-10-07 WO disclosed
EP-3215144-B1 ORNITHINE AMINOTRANSFERASE INHIBITION WITH GABA ANALOGUES FOR TREATMENT OF HEPATOCELLULAR CARCINOMA UNIV NORTHWESTERN (US) 2021-04-28 EP disclosed
WO-2021062048-A2 METHODS AND SYSTEMS FOR MODULATING HEPATIC GABA PRODUCTION OR RELEASE TO ALTER FOOD INTAKE IN MONOGASTRIC SPECIES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-04-01 WO disclosed
US-20200299296-A1 ANALOGS OF 3-AMINO-4-(PROPAN-2-YLIDENE)CYCLOPENTANE-1-CARBOXYLIC ACID AND USES THEREOF FOR TREATING DISEASES AND DISORDERS ASSOCIATED WITH ORNITHINE AMINOTRANSFERASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2020-09-24 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
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-20120245380-A1 Inhibition of Ornithine Aminotransferase for the Treatment of Proliferative Disorders HADASIT MEDICAL RESEARCH SERVICES & DEVELOPMENT LTD. (IL) 2012-09-27 US disclosed
US-20120245380-A1 Inhibition of Ornithine Aminotransferase for the Treatment of Proliferative Disorders HADASIT MEDICAL RESEARCH SERVICES & DEVELOPMENT LTD. (IL) 2012-09-27 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 (8 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 OAT 1/4885ABAT 6/4885GABRR1 45/4885
US-20200299296-A1 ANALOGS OF 3-AMINO-4-(PROPAN-2-YLIDENE)CYCLOPENTANE-1-CARBOXYLIC ACID AND USES THEREOF FOR TREATING DISEASES AND DISORDERS ASSOCIATED WITH ORNITHINE AMINOTRANSFERASE ACTIVITY OAT, OTC, GOT2 OAT 1/4885ABAT 9/4885GABRR1 1933/4885
US-20180098952-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA OAT, OTC, ABAT OAT 1/4885ABAT 3/4885GABRR1 96/4885
US-11207283-B2 Inactivators of toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria OAT, OTC, ABAT OAT 1/4885ABAT 3/4885GABRR1 96/4885
US-20200281880-A1 INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA OAT, OTC, ABAT OAT 1/4885ABAT 3/4885GABRR1 96/4885
US-10632088-B2 Inactivators of Toxoplasma gondii ornithine aminotransferase for treating toxoplasmosis and malaria OAT, OTC, ABAT OAT 1/4885ABAT 3/4885GABRR1 96/4885
US-20120245380-A1 Inhibition of Ornithine Aminotransferase for the Treatment of Proliferative Disorders OAT, OTC, BCAT1 OAT 1/4885ABAT 8/4885GABRR1 835/4885
US-11203596-B2 Analogs of 3-amino-4-(propan-2-ylidene)cyclopentane-1-carboxylic acid and uses thereof for treating diseases and disorders associated with ornithine aminotransferase activity OAT, OTC, GOT2 OAT 1/4885ABAT 9/4885GABRR1 1933/4885

“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.