SCHEMBL6290779

SCHEMBL6290779

CC#CCOc1ccc(S(=O)(=O)N(C)c2c(C(=O)OCC)cnc3c2c(C)nn3C)cc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.79
ADAM17 P78536 14/20 0.79
MMP1 P03956 13/20 0.79
MMP9 P14780 12/20 0.79
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
MAPT P10636 1/20 0.45
MMP2 P08253 1/20 0.45
MMP7 P09237 1/20 0.45
MMP8 P22894 1/20 0.45
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
NR3C1 P04150 1/20 0.43

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
SCHEMBL6289947 0.91 MMP13 (0.82) MMP13ADAM17MMP1MMP9MMP2
SCHEMBL3942491 0.88 MMP13 (1.00) MMP13ADAM17MMP1MMP9
SCHEMBL6290684 0.86 MMP1 (0.73) MMP13ADAM17MMP1MMP9LMNA
SCHEMBL7143527 0.85 MMP9 (0.77) MMP13ADAM17MMP1MMP9LMNA
SCHEMBL7008670 0.85 MMP9 (0.77) MMP13ADAM17MMP1MMP9LMNA
SCHEMBL6289910 0.83 ADAM17 (0.79) MMP13ADAM17MMP1MMP9MMP2
SCHEMBL6290547 0.83 ADAM17 (0.79) MMP13ADAM17MMP1MMP9ALDH1A1
SCHEMBL7013182 0.80 MMP1 (0.79) MMP13ADAM17MMP1MMP9LMNA
Hydroxyamine SCHEMBL7564551 0.78 MMP1 (0.77) MMP13ADAM17MMP1MMP9LMNA
SCHEMBL6290079 0.78 ADAM17 (0.79) MMP13ADAM17MMP1MMP9MMP2

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-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-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 MMP13 334/4885ADAM17 67/4885MMP1 208/4885

“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.