SCHEMBL5736775

SCHEMBL5736775

CCOC(=O)CCc1ccc2oc(CC(C)(C)C)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
P2RY12 Q9H244 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
RAB9A P51151 3/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRK6 P43250 1/20 0.40
ACLY P53396 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
MAPT P10636 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
APP P05067 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
SCHEMBL17385279 0.84 CYP4F2 (0.51) GAAPDE3BPDE3AP2RY12CYP4F2
SCHEMBL7161288 0.81 PDE3B (0.46) GAAPDE3BPDE3AP2RY12CYP4F2
SCHEMBL14925499 0.79 MAPT (0.49) GAARAB9ANPC1MEN1KMT2A
SCHEMBL14925500 0.78 GAA (0.51) GAAPDE3BPDE3AP2RY12CYP4F2
SCHEMBL24244072 0.77 RAB9A (0.44) GAAPDE3BPDE3AP2RY12CYP4F2
SCHEMBL5733947 0.76 GAA (0.75) GAAMEN1KMT2AGRK6ACLY
SCHEMBL7972175 0.76 GAA (0.59) GAARAB9ANPC1MEN1KMT2A
SCHEMBL14930222 0.76 TSHR (0.52) GAARAB9ANPC1MEN1KMT2A
SCHEMBL7970831 0.76 GAA (0.53) GAARAB9ANPC1MEN1KMT2A
SCHEMBL5734612 0.76 TTR (0.53) P2RY12RAB9ANPC1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686128-A2 Isothiazole derivatives and their use as pesticides Syngenta Limited (GB) 2006-08-02 EP disclosed
EP-1265892-B1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LTD (GB) 2006-01-18 EP disclosed
US-6703347-B2 INSECTICIDES, FUNGICIDES, NEMATOCIDES, MOLLUSCICIDES, AND MITICIDES FOR PLANTS SYNGENTA LIMITED (GB) 2004-03-09 US disclosed
US-20030207926-A1 Isothiazole derivatives and their use as pesticides SYNGENTA LIMITED (GB) 2003-11-06 US disclosed
EP-1265892-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES Syngenta Limited (GB) 2002-12-18 EP disclosed
WO-2001055144-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed
WO-2001055139-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 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-20030207926-A1 Isothiazole derivatives and their use as pesticides CBR1, CBR3, CYP1B1 GAA 4838/4885PDE3B 2317/4885PDE3A 1993/4885

“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.