SCHEMBL2087977

SCHEMBL2087977

CNC(=O)Nc1cc(OC)cc(NC(=O)NS(=O)(=O)c2cc3cc(C)ccc3s2)n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 14/20 0.61
CREBBP Q92793 1/20 0.61
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
FLT3 P36888 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
SCHEMBL2088650 0.92 FBP1 (0.61) FBP1CREBBPCA2
SCHEMBL2090456 0.89 FBP1 (0.58) FBP1CREBBPCA2
SCHEMBL2087609 0.85 FBP1 (0.61) FBP1CREBBPCA2LMNAGAA
SCHEMBL2088044 0.78 FBP1 (0.53) FBP1CREBBPKDM4E
SCHEMBL2090622 0.76 FBP1 (0.76) FBP1CREBBP
SCHEMBL2089798 0.76 FBP1 (1.00) FBP1CREBBP
SCHEMBL2091223 0.75 FBP1 (0.75) FBP1CREBBP
SCHEMBL3483777 0.75 FBP1 (0.60) FBP1CA2ALDH1A1MAPTFLT3
SCHEMBL2088581 0.73 FBP1 (0.49) FBP1CREBBPGAAKDM4EALDH1A1
SCHEMBL2087732 0.73 FBP1 (0.56) FBP1CREBBPLMNAGAAKDM4E

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-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2009-06-04 US claimed
US-8163778-B2 Pyridines as FBPase inhibitors for treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2227452-A2 PYRIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009068468-A2 PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed
US-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2009-06-04 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-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES FBP1, PDXK, G6PC1 FBP1 1/4885CREBBP 642/4885CA2 1000/4885

“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.