SCHEMBL6415033

SCHEMBL6415033

CC(C)CSN(SCC(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
RNPEP Q9H4A4 1/20 0.31
SLC7A5 Q01650 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL28193402 0.78 TDP1 (0.35) SLC7A5TDP1
SCHEMBL5608381 0.70 FFAR3 (0.35) ALDH1A1
SCHEMBL11666608 0.69
Hydrochloric Acid SCHEMBL10822937 0.69 FFAR3 (0.33) ALDH1A1
SCHEMBL7164606 0.67 TDP1 (0.39) TDP1
SCHEMBL6907435 0.67 TDP1 (0.39) ALDH1A1TDP1
SCHEMBL3777127 0.65
SCHEMBL11878198 0.65 TP53 (0.33)
SCHEMBL8677748 0.65
Hydrochloric Acid SCHEMBL10823079 0.65 TDP1 (0.37) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090396-A1 Herbicides based on substituted carboxylic acid anilides BAYER CROPSCIENCE AG (DE) 2005-04-28 US claimed

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-20050090396-A1 Herbicides based on substituted carboxylic acid anilides AADAC, NOTUM, NAAA CYP2D6 232/4885CYP2C19 381/4885RNPEP 830/4885

“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.