SCHEMBL30840100

SCHEMBL30840100

C=Cc1c(Oc2ccc(F)c(C(=O)O)c2)c(F)cc2[nH]ccc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 5/20 0.38
▸ PRKAG1 P54619 5/20 0.38
▸ PRKAA2 P54646 5/20 0.38
▸ PRKAA1 Q13131 5/20 0.38
▸ PRKAG3 Q9UGI9 5/20 0.38
▸ PRKAG2 Q9UGJ0 5/20 0.38
▸ PRKAB1 Q9Y478 5/20 0.38
▸ DHODH Q02127 1/20 0.33
▸ ADRB1 P08588 2/20 0.32
▸ ADRB3 P13945 2/20 0.32
▸ KAT6A Q92794 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ TPX2 Q9ULW0 1/20 0.32
▸ RHEB Q15382 1/20 0.32
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ TRPA1 O75762 1/20 0.31

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
SCHEMBL27283024 1.00 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30750345 0.90 BTK (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27277710 0.90 BTK (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30840825 0.86 TRPA1 (0.33) RHEBTRPA1
SCHEMBL27265131 0.86 TRPA1 (0.33) RHEBTRPA1
SCHEMBL30805103 0.86 TRPA1 (0.33) RHEBTRPA1
SCHEMBL31065875 0.85 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Iodide SCHEMBL30750030 0.85 RHEB (0.30) RHEBTRPA1
SCHEMBL30840249 0.84 TRPA1 (0.32) RHEBTHRATHRBTRPA1
SCHEMBL27283125 0.84 TRPA1 (0.32) RHEBTHRATHRBTRPA1

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
US-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof GENZYME CORPORATION (US) 2026-05-12 — — US disclosed
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 — — US disclosed
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2026-01-08 — — US disclosed
EP-4583972-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF Sionna Therapeutics Inc. (US) 2025-07-16 — — EP disclosed
US-20250197422-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SCHRODINGER, LLC 2025-06-19 — — US disclosed
WO-2024054840-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SIONNA THERAPEUTICS (US) 2024-03-14 — — WO 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 (4 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-12624051-B2 Macrocyclic compounds, compositions, and methods of using thereof CFTR, ABCC3, ABCD3 PRKAB2 408/4885PRKAG1 494/4885PRKAA2 484/4885
US-20260008786-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 PRKAB2 408/4885PRKAG1 494/4885PRKAA2 484/4885
US-20260008785-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCC3, ABCD3 PRKAB2 386/4885PRKAG1 474/4885PRKAA2 543/4885
US-20250197422-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCB1, PKD1 PRKAB2 701/4885PRKAG1 425/4885PRKAA2 262/4885

“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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