SCHEMBL28803526

SCHEMBL28803526

CCOC(=O)[C@@H]1CCC(=O)[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GAA P10253 1/20 0.41
▸ BTK Q06187 1/20 0.39
▸ NFKB1 P19838 3/20 0.37
▸ NFKB2 Q00653 3/20 0.37
▸ RELA Q04206 3/20 0.37
▸ PDK1 Q15118 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL30279188 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL22661081 0.88 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL22645711 0.88 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL22645710 0.88 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL31601434 0.88 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL23036707 0.88 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL31008916 0.87 GAA (0.45) ALDH1A1KMT2AGAABTKNFKB1
SCHEMBL11888286 0.86 KMT2A (0.48) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL29317638 0.84 KMT2A (0.44) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL23274580 0.83 BTK (0.57) ALDH1A1KMT2AGAABTKNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12492164-B2 Fluorine substituted cyclohexene analogues of gamma-aminobutyric acid (GABA) NORTHWESTERN UNIVERSITY (US) 2025-12-09 — — US disclosed
US-20240239738-A1 (S)-3-AMINO-4-(DIFLUOROMETHYLENE)CYCLOHEXENE AND CYCLOHEXANE CARBOXYLIC ACID AND USES THEREOF AS SELECTIVE INACTIVATORS OF HUMAN ORNITHINE AMINOTRANSFERASE (hOAT) NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-07-18 — — US disclosed
US-20230107230-A1 FLUORINE SUBSTITUTED CYCLOHEXENE ANALOGUES OF GAMMA- AMINOBUTYRIC ACID (GABA) NORTHWESTERN UNIVERSITY 2023-04-06 — — US disclosed
EP-4048654-A1 FLUORINE SUBSTITUTED CECLOHEXENE ANALOGOUES OF GAMMA-AMINOBUTYRIC ACID (GABA) Northwestern University (US) 2022-08-31 — — EP disclosed
CN-114867714-A Fluoro substituted cyclohexene analogues of gamma-aminobutyric acid (GABA) 西北大学 2022-08-05 — — CN 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 (3 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-20230107230-A1 FLUORINE SUBSTITUTED CYCLOHEXENE ANALOGUES OF GAMMA- AMINOBUTYRIC ACID (GABA) OAT, GABBR1, SLC1A2 ALDH1A1 287/4885KMT2A 3571/4885MEN1 4185/4885
US-12492164-B2 Fluorine substituted cyclohexene analogues of gamma-aminobutyric acid (GABA) OAT, GABBR1, SLC1A2 ALDH1A1 287/4885KMT2A 3571/4885MEN1 4185/4885
US-20240239738-A1 (S)-3-AMINO-4-(DIFLUOROMETHYLENE)CYCLOHEXENE AND CYCLOHEXANE CARBOXYLIC ACID AND USES THEREOF AS SELECTIVE INACTIVATORS OF HUMAN ORNITHINE AMINOTRANSFERASE (hOAT) AADAT, DLAT, OAT ALDH1A1 115/4885KMT2A 625/4885MEN1 4730/4885

“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.

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