SCHEMBL6289439

SCHEMBL6289439

CCOC(=O)c1cnc2c(cnn2CC)c1NC

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.73
PDE5A O76074 1/20 0.73
MEN1 O00255 1/20 0.72
MAPT P10636 1/20 0.72
HPGD P15428 1/20 0.72
BLM P54132 1/20 0.72
PMP22 Q01453 1/20 0.72
KMT2A Q03164 1/20 0.72
ADORA1 P30542 1/20 0.53

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
SCHEMBL2457683 0.89 PDE4B (0.72) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL4811745 0.87 PDE4B (0.69) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL6290555 0.86 MAPT (0.69) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL983832 0.86 PDE4B (0.82) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL6289931 0.85 PDE4B (0.70) PDE4BPDE5AADORA1
SCHEMBL4820250 0.85 PDE4B (0.73) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL582697 0.85 PDE4B (0.92) PDE4BPDE5AMEN1MAPTHPGD
Etazolate SCHEMBL29824913 0.85 MEN1 (0.98) PDE4BPDE5AMEN1MAPTHPGD
Etazolate SCHEMBL16703320 0.85 MEN1 (0.98) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL4816464 0.85 PDE4B (0.73) PDE4BPDE5AMEN1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946473-B2 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors WYETH HOLDINGS CORPORATION (US) 2005-09-20 US disclosed
US-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors AMERICAN CYANAMID COMPANY 2003-11-06 US disclosed
EP-1279674-A2 Acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors American Cyanamid Company (US) 2003-01-29 EP disclosed
EP-1157024-B1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID CO (US) 2002-11-06 EP disclosed
EP-1157024-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-11-28 EP disclosed
WO-2000044749-A1 ACETYLENIC ORTHO-SULFONAMIDO AND PHOSPHINIC ACID AMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO 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-20030208066-A1 Preparation and use of acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors SI, TNF, PTDSS1 PDE4B 3874/4885PDE5A 3687/4885MEN1 2211/4885

“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.