SCHEMBL29659632

SCHEMBL29659632

Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5O)cc4)c(Cl)cc3[nH]2)cc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 19/20 1.00
PRKAB1 Q9Y478 19/20 1.00
PRKAA2 P54646 15/20 1.00
PRKAA1 Q13131 9/20 1.00
PRKAB2 O43741 3/20 0.86
PRKAG3 Q9UGI9 3/20 0.86
PRKAG2 Q9UGJ0 3/20 0.86
TFDP2 Q14188 1/20 0.86
DHODH Q02127 1/20 0.45

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
SCHEMBL16689853 1.00 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL25735806 0.93 PRKAG1 (0.86) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481331 0.93 PRKAG1 (0.89) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481025 0.93 PRKAG1 (0.89) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3036566 0.93 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL29376061 0.93 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL30788331 0.93 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437301 0.93 PRKAG1 (0.96) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437344 0.91 PRKAG1 (0.85) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL29659585 0.90 PRKAG1 (0.82) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220098175-A1 DIRECT AMPK ACTIVATORS RIGEL PHARMACEUTICALS, INC. (US) 2022-03-31 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-20220098175-A1 DIRECT AMPK ACTIVATORS PRKAA1, PRKAG1, PRKAB1 PRKAG1 2/4885PRKAB1 3/4885PRKAA2 5/4885

“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.