SCHEMBL6290602

SCHEMBL6290602

CCOC(=O)c1cnc2c(nc(C)n2C)c1N(C)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.49
MMP9 P14780 5/20 0.49
MMP13 P45452 5/20 0.49
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
ADAM17 P78536 3/20 0.41
FOS P01100 1/20 0.40
JUN P05412 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
PDE4B Q07343 1/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7393567 0.87 MMP1 (0.52) MMP1MMP9MMP13ADAM17HPGD
SCHEMBL7015443 0.87 MMP9 (0.53) MMP1MMP9MMP13ALDH1A1ADAM17
SCHEMBL6290684 0.81 MMP1 (0.73) MMP1MMP9MMP13ALDH1A1GAA
SCHEMBL6290603 0.79 PDE4B (0.47) ALDH1A1GAAFOSJUNNFKB1
SCHEMBL6290652 0.77 MMP1 (0.57) MMP1MMP9MMP13ALDH1A1GAA
SCHEMBL6290084 0.76 PDE4B (0.49) MMP1MMP9MMP13ALDH1A1GAA
SCHEMBL6289433 0.76 MAPT (0.41) MMP1MMP9MMP13ALDH1A1GAA
SCHEMBL6290099 0.76 SMN1; SMN2 (0.43) MMP1MMP9MMP13ALDH1A1GAA
SCHEMBL6293913 0.76 MMP1 (0.56) MMP1MMP9MMP13ALDH1A1ADAM17
SCHEMBL6290524 0.76 MAPT (0.41) MMP1MMP9MMP13ALDH1A1GAA

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 MMP1 208/4885MMP9 432/4885MMP13 334/4885

“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.