SCHEMBL2105010

SCHEMBL2105010

[CH2]S(=O)(=O)N1CCN(C(C)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CD O00329 1/20 0.41
GAA P10253 1/20 0.37
CASP6 P55212 1/20 0.36
GFER P55789 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL3585508 0.79 CYP1A2 (0.52) CYP1A2TDP1ALDH1A1KMT2AMEN1
SCHEMBL6538821 0.79 CYP1A2 (0.52) CYP1A2TDP1ALDH1A1KMT2AMEN1
SCHEMBL2105014 0.79 TDP1 (0.52) CYP1A2TDP1ALDH1A1KMT2AMEN1
SCHEMBL12303023 0.77 POLB (0.58) CYP1A2TDP1ALDH1A1KMT2AMEN1
SCHEMBL860793 0.77 CYP1A2 (0.77) CYP1A2TDP1ALDH1A1KMT2AMEN1
SCHEMBL37407 0.77
SCHEMBL14407779 0.77 CYP1A2 (0.77) CYP1A2TDP1ALDH1A1KMT2AMEN1
SCHEMBL18711923 0.74 PIK3CD (0.47) CYP1A2TDP1ALDH1A1KMT2AMEN1
SCHEMBL14276864 0.74 GAA (0.61) CYP1A2TDP1ALDH1A1KMT2AMEN1
SCHEMBL12251562 0.74 TDP1 (0.46) CYP1A2TDP1ALDH1A1KMT2AMEN1

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
EP-1819667-B1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2012-10-17 EP disclosed
US-8163735-B2 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2012-04-24 US disclosed
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-09-17 US 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-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors CTSF, CTSS, CSTB CYP1A2 1791/4885TDP1 4674/4885ALDH1A1 2409/4885

“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.