SCHEMBL6290776

SCHEMBL6290776

CCOC(=O)c1cnc2c(c(C)nn2C)c1N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.56
MMP13 P45452 9/20 0.56
MMP9 P14780 7/20 0.56
ADAM17 P78536 7/20 0.56
LMNA P02545 3/20 0.54
POLB P06746 2/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
NR3C1 P04150 3/20 0.41

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
SCHEMBL6293214 0.91 MMP1 (0.47) MMP1MMP13MMP9ADAM17LMNA
SCHEMBL6414787 0.91 MMP1 (0.59) MMP1MMP13MMP9ADAM17LMNA
SCHEMBL6290784 0.91 MMP1 (0.68) MMP1MMP13MMP9ADAM17LMNA
SCHEMBL6290684 0.85 MMP1 (0.73) MMP1MMP13MMP9ADAM17LMNA
SCHEMBL6289971 0.83 MMP9 (0.81) MMP1MMP13MMP9ADAM17
SCHEMBL6289428 0.82 MMP1 (0.72) MMP1MMP13MMP9ADAM17
SCHEMBL6290612 0.82 MMP1 (0.71) MMP1MMP13MMP9ADAM17LMNA
SCHEMBL7151568 0.81 MMP1 (0.61) MMP1MMP13MMP9ADAM17TRPM8
SCHEMBL6289426 0.81 MMP1 (0.58) MMP1MMP13MMP9ADAM17LMNA
SCHEMBL6290788 0.80 MMP1 (0.54) MMP1MMP13MMP9ADAM17LMNA

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

“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.