SCHEMBL5430901

SCHEMBL5430901

CC(Cl)c1ccc2c(C(=O)O)n[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 19/20 0.52
PRKAA1 Q13131 19/20 0.52
PRKAB1 Q9Y478 19/20 0.52
PRKAB2 O43741 18/20 0.52
PRKAA2 P54646 18/20 0.52
PRKAG3 Q9UGI9 18/20 0.52
PRKAG2 Q9UGJ0 18/20 0.52
EIF4A3 P38919 1/20 0.40

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
SCHEMBL22915231 0.88 EIF4A3 (0.51) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL12393388 0.83 PRKAG1 (0.46) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL30443279 0.76 MAP2K4 (0.61) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL7379535 0.76 MAP2K4 (0.61) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL12090187 0.76 MAPK1 (0.50) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL6598584 0.76 PRKAG1 (0.55) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL27757354 0.75 PRKAG1 (0.43) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL176936 0.74 PRKAG1 (0.55) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL12879075 0.74 PRKAG1 (0.46) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL261067 0.73 IDO1 (0.62) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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-20070043057-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-02-22 US disclosed
US-20070015771-A1 Lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-18 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-20070015771-A1 Lonidamine analogs LONP1, LPXN, QDPR PRKAG1 2241/4885PRKAA1 3682/4885PRKAB1 2963/4885
US-20070043057-A1 Lonidamine analogs LONP1, LPXN, QDPR PRKAG1 2241/4885PRKAA1 3682/4885PRKAB1 2963/4885

“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.