SCHEMBL2102997

SCHEMBL2102997

O=S1(=O)CC(N2CC[N]CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.32

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
SCHEMBL337799 0.77 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL31250298 0.75 POLB (0.54) SMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL21140974 0.73 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL188355 0.71
SCHEMBL2254744 0.68
SCHEMBL42221 0.67 PHGDH (0.39) POLB
SCHEMBL193442 0.67 PHGDH (0.34) POLB
SCHEMBL21124355 0.67 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HPGD
SCHEMBL21039571 0.67 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HPGD
SCHEMBL7008499 0.67 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1866276-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2007-12-19 EP disclosed
WO-2006102423-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2006-09-28 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-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors CTSF, CTSS, CSTB SMN1; SMN2 3114/4885ALDH1A1 2409/4885HPGD 2268/4885

“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.