SCHEMBL6480959

SCHEMBL6480959

CSc1nnnn1CCOc1c(S(C)(=O)=O)ccc(C(=O)OC2=CC(=O)CCC2)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30
HTT P42858 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
SCHEMBL6482370 0.86 ALDH1A1 (0.38) ALDH1A1HPGDHTT
SCHEMBL6492677 0.85 ALDH1A1 (0.32) ALDH1A1HPGDHTT
SCHEMBL6493649 0.84
SCHEMBL6482095 0.84 LMNA (0.33) USP2HSD17B10ALDH1A1SMN1; SMN2LMNA
SCHEMBL6491617 0.84 TP53 (0.32) ALDH1A1LMNAHTT
SCHEMBL6482159 0.82 LMNA (0.31) ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL6490965 0.81
SCHEMBL6481368 0.79 HPGD (0.38) USP2HSD17B10SMN1; SMN2LMNAKMT2A
SCHEMBL6481018 0.79 HPD (0.31) KMT2AHPGD
SCHEMBL5182355 0.79 ALDH1A1 (0.40) USP2ALDH1A1LMNAKMT2AHPGD

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-20050090398-A1 Novel tetrazole derivative useful as herbicides YANAGI AKIHIKO (JP) 2005-04-28 US disclosed
EP-1476437-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES Bayer CropScience AG (DE) 2004-11-17 EP disclosed
WO-2003066607-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-14 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-20050090398-A1 Novel tetrazole derivative useful as herbicides DDT, TTI1, CYP1A1 USP2 1596/4885HSD17B10 618/4885ALDH1A1 533/4885

“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.