Sugi Predict

Sugi Predict / Compounds / SCHEMBL3440929

SCHEMBL3440929

SCHEMBL3440929

CC1SC(=O)NN=C1c1ccc2c(c1)nc(-c1ccccc1C(F)(F)F)n2C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 9/20 0.40
▸ PDE3A Q14432 9/20 0.40
▸ PDE4A P27815 5/20 0.40
▸ PDE4B Q07343 5/20 0.40
▸ PDE4C Q08493 5/20 0.40
▸ PDE4D Q08499 5/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ HSD11B1 P28845 6/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ BRD4 O60885 2/20 0.37

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
SCHEMBL3440943 0.84 GPR119 (0.42) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL3440835 0.83 KIT (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL3618172 0.81 HSD11B1 (0.38) HSD11B1TRPA1KDM4EALDH1A1CYP1A2
SCHEMBL3612212 0.80 PDE3B (0.42) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL3440883 0.79 FBP1 (0.47) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL3440991 0.78 PDE3B (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL3440897 0.77 FBP1 (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL3603104 0.77 GPR119 (0.42) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL3440882 0.76 PDE3B (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL3611118 0.71 KIT (0.44) KDM4EALDH1A1CYP1A2

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-8232272-B2 Benzimidazoledihydrothiadiazinone derivatives as fructose-1,6-bisphosphatase inhibitors, and pharmaceutical compositions comprising same MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-07-31 — — US disclosed
US-20100286129-A1 NOVEL BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-11-11 — — US disclosed
EP-2229385-A2 BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Merck Patent GmbH (DE) 2010-09-22 — — EP disclosed
WO-2009062576-A2 BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME MERCK PATENT GMBH (DE) 2009-05-22 — — WO disclosed
EP-2058308-A1 Benzimidazoledihydrothiadiazinone derivatives used as fructose-1,6-biphosphatase inhibitors and pharmaceutical compositions containing same. Merck Sante (FR) 2009-05-13 — — 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-20100286129-A1 NOVEL BENZIMIDAZOLEDIHYDROTHIADIAZINONE DERIVATIVES AS FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME FBP1, ALDOA, GCK PDE3B 1151/4885PDE3A 1419/4885PDE4A 1006/4885

“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.