SCHEMBL22459920

SCHEMBL22459920

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

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OAT P04181 1/20 0.76
ABAT P80404 1/20 0.62
GABRR1 P24046 1/20 0.32

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
SCHEMBL22459885 1.00 OAT (0.76) OATABATGABRR1
SCHEMBL22460134 0.89 OAT (0.69) OATABATGABRR1
SCHEMBL22459893 0.89 OAT (0.69) OATABATGABRR1
SCHEMBL12689554 0.86 OAT (1.00) OATABATGABRR1
Hydrochloric Acid SCHEMBL22440735 0.85 OAT (0.97) OATABATGABRR1
SCHEMBL22459879 0.83 OAT (0.61) OATABAT
SCHEMBL22440730 0.83 OAT (0.61) OATABAT
Hydrochloric Acid SCHEMBL22440734 0.82 OAT (0.60) OATABAT
Hydrochloric Acid SCHEMBL22440721 0.82 OAT (0.60) OATABAT
SCHEMBL22459682 0.82 OAT (0.60) OATABAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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-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.