SCHEMBL30575147

SCHEMBL30575147

[2H]c1cc(O[C@@H](C)C(=O)O)cc([2H])c1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
GAA P10253 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
CYP2C19 P33261 1/20 0.54
TDP1 Q9NUW8 2/20 0.50
LDHA P00338 1/20 0.46
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 1/20 0.42
TBXAS1 P24557 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39

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
SCHEMBL30575138 0.86 TDP1 (0.50) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL4115418 0.83 LDHA (0.66) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL16825954 0.83 LDHA (0.66) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL6481836 0.83 LDHA (0.66) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL4262556 0.80 CYP1A2 (0.77) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL10871441 0.79 LDHA (0.59) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL43054 0.77 CYP1A2 (0.78) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL127395 0.77 CYP1A2 (0.78) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL473828 0.77 CYP1A2 (0.78) CYP1A2GAACYP2C9PKMCYP2C19
Benzene SCHEMBL27779381 0.77 CYP1A2 (0.78) CYP1A2GAACYP2C9PKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731200-A1 CLC-1 INHIBITORS FOR USE IN THE TREATMENT OF MULTIPLE SCLEROSIS AND NEUROMUSCULAR DISEASES NMD Pharma A/S (DK) 2026-04-29 EP claimed
WO-2024261020-A1 CLC-1 INHIBITORS FOR USE IN THE TREATMENT OF MULTIPLE SCLEROSIS AND NEUROMUSCULAR DISEASES NMD PHARMA A/S (DK) 2024-12-26 WO claimed
EP-4731200-A1 CLC-1 INHIBITORS FOR USE IN THE TREATMENT OF MULTIPLE SCLEROSIS AND NEUROMUSCULAR DISEASES NMD Pharma A/S (DK) 2026-04-29 EP disclosed
WO-2024261020-A1 CLC-1 INHIBITORS FOR USE IN THE TREATMENT OF MULTIPLE SCLEROSIS AND NEUROMUSCULAR DISEASES NMD PHARMA A/S (DK) 2024-12-26 WO disclosed
EP-3723745-B1 PHENOXY ACIDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA AS (DK) 2024-06-19 EP disclosed
US-11730714-B2 Compounds for the treatment of neuromuscular disorders NMD PHARMA A/S (DK) 2023-08-22 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 (1 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-11730714-B2 Compounds for the treatment of neuromuscular disorders RYR1, CACNB1, RYR2 CYP1A2 4681/4885GAA 2463/4885CYP2C9 4788/4885

“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.