SCHEMBL6934741

SCHEMBL6934741

Nc1[nH]cnc1C(=O)NC1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA9 Q16790 4/20 0.50
AKR1B1 P15121 1/20 0.50
PYGB P11216 6/20 0.45
GAA P10253 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
SCHEMBL9616492 1.00 CA1 (0.50) CA1CA2CA9AKR1B1PYGB
SCHEMBL18642492 1.00 CA1 (0.50) CA1CA2CA9AKR1B1PYGB
SCHEMBL7253811 1.00 CA1 (0.50) CA1CA2CA9AKR1B1PYGB
SCHEMBL3810831 1.00 CA1 (0.50) CA1CA2CA9AKR1B1PYGB
SCHEMBL3810098 0.89 PNP (0.40) CA1CA2CA9AKR1B1PYGB
SCHEMBL5189446 0.87 AKR1B1 (0.53) CA1CA2CA9AKR1B1PYGB
SCHEMBL4886455 0.86 CA1 (0.37) CA1CA2CA9AKR1B1PYGB
SCHEMBL7893924 0.86 CA1 (0.47) CA1CA2CA9AKR1B1PYGB
SCHEMBL9051986 0.86 AKR1B1 (0.49) CA1CA2CA9AKR1B1PYGB
SCHEMBL8041486 0.86 AKR1B1 (0.49) CA1CA2CA9AKR1B1PYGB

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-20140186306-A1 NOVEL AMPK AGONIST COMPOSITIONS AND METHODS OF USE PLANTE PAUL RONALD (US) 2014-07-03 US disclosed
EP-1370539-A1 HIV INHIBITING N-AMINOIMIDAZOLE DERIVATIVES K.U. Leuven Research and Development (BE) 2003-12-17 EP disclosed
WO-2002068395-A1 HIV INHIBITING N-AMINOIMIDAZOLE DERIVATIVES K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2002-09-06 WO disclosed
EP-0495091-A4 AICA RIBOSIDE ANALOGS 1993-01-07 EP disclosed
EP-0495091-A1 AICA RIBOSIDE ANALOGS GENSIA, INC. (US) 1992-07-22 EP 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-20140186306-A1 NOVEL AMPK AGONIST COMPOSITIONS AND METHODS OF USE ADIPOR1, PRKAR2A, COL2A1 CA1 4591/4885CA2 2560/4885CA9 4284/4885

“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.