SCHEMBL3223390

SCHEMBL3223390

CC(=O)OCCNC(=S)NC1CCCc2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
DHODH Q02127 3/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3210225 0.88 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL3223002 0.80 MTNR1A (0.52)
SCHEMBL3223401 0.80 TAS1R3 (0.41) ALDH1A1DHODHTAS1R3TAS1R1TAS1R2
SCHEMBL3209462 0.75 PDE10A (0.41) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL3221363 0.73 ALDH1A1 (0.55) ALDH1A1DHODHHTTMEN1KMT2A
SCHEMBL12049785 0.71 ALDH1A1 (0.55) ALDH1A1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL12049791 0.70 ALDH1A1 (0.60) ALDH1A1DHODHHTTLMNAMEN1
SCHEMBL3213249 0.70 ALDH1A1 (0.50) ALDH1A1DHODHTAS1R3TAS1R1TAS1R2
SCHEMBL12060650 0.69 ALDH1A1 (0.55) ALDH1A1DHODHTAOK3HTTLMNA
SCHEMBL3210236 0.69 LMNA (0.40) ALDH1A1TAS1R3TAS1R1TAS1R2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US claimed
EP-2043444-A1 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2009-04-08 EP claimed
WO-2008009881-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED. (GB) 2008-01-24 WO claimed
US-20100048699-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-02-25 US disclosed
EP-2043444-A1 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2009-04-08 EP disclosed
WO-2008009881-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED. (GB) 2008-01-24 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-20100048699-A1 CHEMICAL COMPOUNDS ACHE, TYR, SGMS1 ALDH1A1 128/4885DHODH 1426/4885TAS1R3 816/4885

“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.