SCHEMBL12424136

SCHEMBL12424136

CC(C)c1ccc(-c2noc(-c3ccsc3)c2C(O)c2cccnc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARA Q07869 1/20 0.34
BRD4 O60885 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP17A1 P05093 1/20 0.33
TSHR P16473 1/20 0.33
RORC P51449 1/20 0.32
ATM Q13315 2/20 0.32
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
PRKDC P78527 1/20 0.31
IDH2 P48735 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
SCHEMBL2196971 0.90 PPARA (0.36) AKR1C3AKR1C2SMN1; SMN2LMNAL3MBTL1
SCHEMBL2196223 0.87 SMN1; SMN2 (0.38) SMN1; SMN2LMNAL3MBTL1PPARABRD4
SCHEMBL2200388 0.87 KCNA5 (0.37) SMN1; SMN2LMNAL3MBTL1PPARACYP3A4
SCHEMBL2195077 0.83 PPARA (0.36) AKR1C3AKR1C2SMN1; SMN2LMNAL3MBTL1
SCHEMBL2198784 0.81 KCNA5 (0.37) SMN1; SMN2LMNAL3MBTL1PPARACYP3A4
SCHEMBL2199012 0.81 NPC1 (0.39) SMN1; SMN2LMNAL3MBTL1PPARABRD4
SCHEMBL2199157 0.80 SMN1; SMN2 (0.43) SMN1; SMN2LMNAL3MBTL1PPARABRD4
SCHEMBL2197749 0.78 ATM (0.38) AKR1C3AKR1C2SMN1; SMN2LMNAL3MBTL1
SCHEMBL2195122 0.77 PPARA (0.39) SMN1; SMN2LMNAL3MBTL1PPARABRD4
SCHEMBL2198688 0.77 TSHR (0.45) SMN1; SMN2LMNAL3MBTL1PPARABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977341-B2 For crops; 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethylsilylisoxazole for example SYNGENTA LIMITED (GB) 2011-07-12 US disclosed
US-7977341-B2 For crops; 3-(2,6-Dichlorophenyl)-4-[(3-pyridyl)hydroxymethyl]-5-trimethylsilylisoxazole for example SYNGENTA LIMITED (GB) 2011-07-12 US disclosed
US-20080096843-A1 Substituted Isoxazoles as Fungicides SYNGENTA LIMITED (GB) 2008-04-24 US disclosed
US-20080096843-A1 Substituted Isoxazoles as Fungicides SYNGENTA LIMITED (GB) 2008-04-24 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-20080096843-A1 Substituted Isoxazoles as Fungicides CYP4X1, CYP51A1, CYP3A7 AKR1C3 393/4885AKR1C2 682/4885SMN1; SMN2 2387/4885

“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.