SCHEMBL6293248

SCHEMBL6293248

CCOC(=O)c1cnc2scc(Cl)c2c1NCS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
CA2 P00918 1/20 0.40
AURKB Q96GD4 3/20 0.39
AURKA O14965 2/20 0.39
P2RY12 Q9H244 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 4/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
ADORA1 P30542 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6289454 0.85 CA2 (0.43) PDE4BCA2AURKBAURKAMAPK1
SCHEMBL6290527 0.85 MAPK1 (0.42) PDE4BCA2AURKBAURKAP2RY12
SCHEMBL6289437 0.83 PDE4B (0.44) PDE4BCA2P2RY12MAPK1MAPT
SCHEMBL6290577 0.82 PDE4B (0.46) PDE4BMAPK1MAPTALDH1A1LMNA
SCHEMBL6290045 0.82 PDE4B (0.44) PDE4BCA2AURKBMAPK1MAPT
SCHEMBL6289434 0.80 PDE4B (0.45) PDE4BMAPK1MAPTTHRBALDH1A1
SCHEMBL6293246 0.79 MMP1 (0.44) P2RY12MAPTALDH1A1LMNAMEN1
SCHEMBL6290096 0.79 PDE4B (0.42) PDE4BCA2AURKBAURKAMAPK1
SCHEMBL6290627 0.79 PDE4B (0.48) PDE4BCA2AURKBAURKAMAPK1
SCHEMBL6290687 0.77 LMNA (0.56) PDE4BMAPTALDH1A1LMNAKMT2A

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 4 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

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 3874/4885CA2 2024/4885AURKB 295/4885

“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.