SCHEMBL6019522

SCHEMBL6019522

COc1ccc(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NCCC#N)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.68
MMP2 P08253 11/20 0.68
KCNA5 P22460 5/20 0.60
AIMP2 Q13155 1/20 0.57
ADAM17 P78536 2/20 0.57
KCNH2 Q12809 1/20 0.57

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
SCHEMBL6020091 0.92 MMP9 (0.74) MMP9MMP2KCNA5AIMP2ADAM17
SCHEMBL6021267 0.90 MMP9 (0.64) MMP9MMP2KCNA5ADAM17
SCHEMBL6023393 0.89 MMP2 (0.63) MMP9MMP2KCNA5ADAM17KCNH2
SCHEMBL6021355 0.89 NR3C1 (0.63) MMP9MMP2KCNA5ADAM17
SCHEMBL6020024 0.89 MMP9 (0.66) MMP9MMP2KCNA5
SCHEMBL7379813 0.85 MMP9 (0.78) MMP9MMP2KCNA5AIMP2ADAM17
SCHEMBL7374860 0.85 MMP9 (0.78) MMP9MMP2KCNA5AIMP2ADAM17
SCHEMBL22501214 0.85 MMP9 (0.66) MMP9MMP2KCNA5AIMP2KCNH2
SCHEMBL22501213 0.85 MMP9 (0.66) MMP9MMP2KCNA5AIMP2KCNH2
SCHEMBL22500284 0.84 MMP9 (0.65) MMP9MMP2KCNA5AIMP2ADAM17

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 MMP9 2430/4885MMP2 2920/4885KCNA5 1405/4885

“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.