SCHEMBL3415399

SCHEMBL3415399

CC(C)(CCS(=O)(=O)CCCP(=O)(O)O)NCl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.35
TYMS P04818 1/20 0.34
LPAR3 Q9UBY5 3/20 0.32
LPAR2 Q9HBW0 1/20 0.32
BBOX1 O75936 2/20 0.32
S1PR2 O95136 5/20 0.31
S1PR4 O95977 5/20 0.31
S1PR1 P21453 5/20 0.31
S1PR3 Q99500 5/20 0.31
S1PR5 Q9H228 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3418825 0.77 GRM4 (0.35) GRM4TYMSLPAR3LPAR2BBOX1
SCHEMBL4562185 0.75
SCHEMBL3421065 0.75 APEX1 (0.41) LMNANFKB1PMP22ALDH1A1TDP1
SCHEMBL2322686 0.73 BBOX1 (0.41) BBOX1
SCHEMBL8282128 0.73
SCHEMBL4561745 0.73
Hydrochloric Acid SCHEMBL1992346 0.72 BBOX1 (0.40) BBOX1
SCHEMBL8282138 0.70
SCHEMBL6113875 0.69
SCHEMBL2325773 0.69 BBOX1 (0.31) BBOX1

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
WO-2010124237-A1 METHODS OF TREATING INFECTIONS OF THE NAIL NOVABAY PHARMACEUTICALS INC. (US) 2010-10-28 WO claimed
US-20100272783-A1 Methods of Treating Infections of the Nail NOVABAY PHARMACEUTICALS, INC. 2010-10-28 US claimed
US-20100272783-A1 Methods of Treating Infections of the Nail NOVABAY PHARMACEUTICALS, INC. 2010-10-28 US disclosed
WO-2010124237-A1 METHODS OF TREATING INFECTIONS OF THE NAIL NOVABAY PHARMACEUTICALS INC. (US) 2010-10-28 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-20100272783-A1 Methods of Treating Infections of the Nail POLR1C, TYR, NACA GRM4 4423/4885TYMS 3138/4885LPAR3 3730/4885

“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.