SCHEMBL2179706

SCHEMBL2179706

Nc1c(C(=O)O)cc(S(=O)(=O)O)c(C(=O)CI)c1N1C(=O)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL574774 0.75 CA12 (0.37) ALDH1A1CASP7TDP1
SCHEMBL10621031 0.70 CA12 (0.31)
SCHEMBL896338 0.64 CA12 (0.36) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL16875692 0.63 CA12 (0.38) ALDH1A1TDP1
SCHEMBL6249309 0.63 KDM4E (0.33) ALDH1A1
SCHEMBL6578197 0.63 CA12 (0.36) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL10445492 0.61 ALDH1A1 (0.53) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL4432972 0.60 ALDH1A1 (0.40) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL17774563 0.60 TDP1 (0.71) ALDH1A1CASP1CASP7HSD17B10TDP1
SCHEMBL530145 0.60 CA12 (0.52) ALDH1A1HSD17B10TDP1

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
US-20140162906-A1 Pesticide Biomarker NAGY JON OWEN (US) 2014-06-12 US disclosed
US-20110166043-A1 BIOMARKER DETECTION-2 ATERIS TECHNOLOGIES, LLC 2011-07-07 US disclosed
US-20100041077-A1 PESTICIDE BIOMARKER ATERIS TECHNOLOGIES, LLC 2010-02-18 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-20110166043-A1 BIOMARKER DETECTION-2 CPB2, NAALAD2, PRSS2 ALDH1A1 1052/4885CASP1 2081/4885CASP7 3167/4885

“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.