SCHEMBL3421065

SCHEMBL3421065

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.33
TSHR P16473 6/20 0.32
LMNA P02545 2/20 0.32
SLC22A6 Q4U2R8 2/20 0.32
AKR1B1 P15121 1/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 1/20 0.31
FABP4 P15090 3/20 0.31
GPR84 Q9NQS5 6/20 0.31
PPARG P37231 6/20 0.31
PPARD Q03181 6/20 0.31
PPARA Q07869 6/20 0.31
HDAC11 Q96DB2 5/20 0.31
ALDH1A1 P00352 2/20 0.31
TLR2 O60603 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
PTPN1 P18031 2/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL3417251 0.77 APEX1 (0.41) APEX1TSHRLMNASLC22A6AKR1B1
SCHEMBL3415399 0.75 GRM4 (0.35) LMNANFKB1PMP22ALDH1A1TDP1
SCHEMBL11330927 0.75 APEX1 (0.68) APEX1TSHRLMNASLC22A6AKR1B1
SCHEMBL6125451 0.70
SCHEMBL9084614 0.70 APEX1 (0.54) APEX1TSHRLMNASLC22A6AKR1B1
SCHEMBL9883954 0.69 APEX1 (0.52) APEX1TSHRLMNASLC22A6AKR1B1
SCHEMBL2675603 0.69 APEX1 (0.65) APEX1TSHRLMNASLC22A6AKR1B1
SCHEMBL28125631 0.68 APEX1 (0.47) APEX1TSHRLMNASLC22A6AKR1B1
SCHEMBL6577828 0.67 GPR84 (0.64) APEX1TSHRLMNASLC22A6AKR1B1
SCHEMBL6577850 0.67 GPR84 (0.64) APEX1TSHRLMNASLC22A6AKR1B1

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-20100272783-A1 Methods of Treating Infections of the Nail NOVABAY PHARMACEUTICALS, INC. 2010-10-28 US claimed
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 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 APEX1 1332/4885NAALAD2 288/4885TSHR 2015/4885

“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.