SCHEMBL8089242

SCHEMBL8089242

CS(=O)(=O)c1ccc2nc(S)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.60
SCD O00767 11/20 0.57
CBFB Q13951 1/20 0.55
FADS1 O60427 1/20 0.50

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
SCHEMBL2817421 0.83 NPBWR1 (0.42) NPBWR1SCDCBFB
SCHEMBL4681427 0.83 HDAC6 (0.60) NPBWR1SCDCBFB
SCHEMBL1160169 0.83 HDAC6 (0.60) NPBWR1SCDCBFB
SCHEMBL3391201 0.83 CA12 (0.53) NPBWR1SCD
SCHEMBL16134729 0.83 KDM4E (0.48) NPBWR1SCDCBFB
Water SCHEMBL28362651 0.82 HDAC6 (0.58) NPBWR1SCDCBFB
SCHEMBL8021452 0.82 HDAC6 (0.58) NPBWR1SCDCBFB
Water SCHEMBL18890706 0.82 NPBWR1 (0.41) NPBWR1SCDCBFB
SCHEMBL17702662 0.81 NPBWR1 (0.61) NPBWR1SCDCBFBFADS1
SCHEMBL8498393 0.80 NPBWR1 (0.60) NPBWR1SCDCBFBFADS1

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-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-04-28 US disclosed
US-6043242-A TREATING A MAMMAL AFFLICTED WITH A DISEASE BASED ON HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-28 US disclosed
EP-0946559-A2 IMIDAZOPYRIDAZINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-10-06 EP disclosed
WO-1998028299-A2 IMIDAZOPYRIDAZINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-07-02 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-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO LPO, NOTUM, FARS2 NPBWR1 4869/4885SCD 556/4885CBFB 3419/4885

“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.