SCHEMBL6289433

SCHEMBL6289433

CCOC(=O)c1cnc2c(C)scc2c1N(C)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
MMP1 P03956 5/20 0.41
MMP13 P45452 5/20 0.41
MMP9 P14780 4/20 0.41
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADAM17 P78536 4/20 0.40
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 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
SCHEMBL6290044 0.91 MEN1 (0.40) MAPTALDH1A1HPGDMMP1MMP13
SCHEMBL6290524 0.84 MAPT (0.41) MAPTALDH1A1HPGDMMP1MMP13
SCHEMBL6290578 0.83 SMN1; SMN2 (0.44) MAPTALDH1A1HPGDMMP1MMP13
SCHEMBL6290629 0.83 MAPT (0.45) MAPTALDH1A1HPGDMMP1MMP13
SCHEMBL6290099 0.80 SMN1; SMN2 (0.43) MAPTALDH1A1HPGDMMP1MMP13
SCHEMBL6289435 0.80 MMP1 (0.41) MAPTALDH1A1HPGDMMP1MMP13
SCHEMBL6293246 0.79 MMP1 (0.44) MAPTALDH1A1HPGDMMP1MMP13
SCHEMBL6289451 0.79 MMP1 (0.44) MAPTALDH1A1HPGDMMP1MMP13
SCHEMBL6289434 0.78 PDE4B (0.45) MAPTALDH1A1HPGDKDM4ENPSR1
SCHEMBL6290602 0.76 MMP1 (0.49) MAPTALDH1A1HPGDMMP1MMP13

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 MAPT 2347/4885ALDH1A1 1372/4885HPGD 816/4885

“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.