SCHEMBL6020680

SCHEMBL6020680

CCN(C#N)C(=O)C(CS(C)(=O)=O)NC(=O)NC1CC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX2 P34913 4/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
KDM1A O60341 6/20 0.38
CNR1 P21554 1/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.37
BMP1 P13497 2/20 0.37
IDH1 O75874 1/20 0.35

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
SCHEMBL6021477 0.87 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1EPHX2CA1CA2
SCHEMBL6020100 0.86 EPHX2 (0.44) SMN1; SMN2NPSR1EPHX2CA1CA2
SCHEMBL6020857 0.83 CTSL (0.46) SMN1; SMN2NPSR1EPHX2CA1CA2
SCHEMBL6020283 0.82 CTSS (0.46) SMN1; SMN2NPSR1EPHX2CA1CA2
SCHEMBL6021310 0.81 MMP9 (0.43) SMN1; SMN2NPSR1EPHX2CA1CA2
SCHEMBL6020683 0.79 CA1 (0.42) SMN1; SMN2NPSR1EPHX2CA1CA2
SCHEMBL6021063 0.79 KDM1A (0.51) KDM1A
SCHEMBL6019480 0.79 CTSL (0.45) SMN1; SMN2NPSR1EPHX2CA1CA2
SCHEMBL6021217 0.78 HSD17B10 (0.40) EPHX2
SCHEMBL6020096 0.78 CTSL (0.53) SMN1; SMN2

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 SMN1; SMN2 3901/4885NPSR1 3020/4885EPHX2 8/4885

“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.