SCHEMBL7233198

SCHEMBL7233198

CC1=NOC(c2c(Cl)c(C(=O)O)cc(C)c2S(C)(=O)=O)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
ACLY P53396 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
SCHEMBL5836542 0.80 LMNA (0.33) LMNA
SCHEMBL1961522 0.72 KDM4E (0.30) ALDH1A1
SCHEMBL10571779 0.66 LMNA (0.38) LMNAALDH1A1MAPK1ACLY
SCHEMBL8687749 0.64 LMNA (0.34) LMNAALDH1A1MAPK1ACLY
SCHEMBL29113488 0.64 LMNA (0.35) LMNAALDH1A1MAPK1
SCHEMBL3237049 0.63 KDM4E (0.50) LMNAALDH1A1MAPK1
SCHEMBL28438470 0.63 SCN9A (0.38) LMNAALDH1A1MAPK1ACLY
SCHEMBL20955402 0.63 TDP1 (0.34)
SCHEMBL28550673 0.62 ACLY (0.36) LMNAALDH1A1MAPK1ACLY
SCHEMBL20982092 0.62 TDP1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645919-B1 Nonphytotoxic to crops BASF AKTIENGESELLSCHAFT (DE) 2003-11-11 US disclosed
US-20030199699-A1 3-(4,5-Dihydroisoxaxol-5-yl)benzoylcyclohexenones and the use thereof as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-23 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-20030199699-A1 3-(4,5-Dihydroisoxaxol-5-yl)benzoylcyclohexenones and the use thereof as herbicides CBR3, HDHD5, CBR1 LMNA 2498/4885ALDH1A1 403/4885MAPK1 2669/4885

“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.