SCHEMBL6289966

SCHEMBL6289966

CCOC(=O)c1nn(C)c2ncc(C)c(NCS(=O)(=O)c3ccc(F)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
PDE4B Q07343 1/20 0.39
PHGDH O43175 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
GAA P10253 1/20 0.36
NR3C1 P04150 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
SCHEMBL6290687 0.83 LMNA (0.56) LMNAPOLBPKMMMP1MMP9
SCHEMBL6290650 0.79 LMNA (0.49) LMNAPOLBPKMMMP1MMP9
SCHEMBL7145474 0.79 MMP1 (0.55) LMNAPOLBPKMMMP1MMP9
SCHEMBL6290579 0.75 MMP1 (0.53) LMNAPOLBPKMMMP1MMP9
SCHEMBL6290603 0.74 PDE4B (0.47) LMNAPOLBPKMPDE4BNPC1
SCHEMBL6293912 0.73 NR3C1 (0.50) LMNAPOLBPKMMMP1MMP9
SCHEMBL6290787 0.71 POLB (0.47) LMNAPOLBPKMPDE4BRAB9A
SCHEMBL6289510 0.71 PDE4B (0.48) LMNAPOLBPKMPDE4BNPC1
SCHEMBL7008676 0.71 LMNA (0.66) LMNAPOLBPKMMMP1MMP9
SCHEMBL6290577 0.68 PDE4B (0.46) LMNAPKMPDE4BALDH1A1MAPT

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 3 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

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 LMNA 2997/4885POLB 971/4885PKM 3507/4885

“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.