SCHEMBL5761398

SCHEMBL5761398

CC(=O)OC(C)C(=O)c1ccc(I)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.50
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
TPMT P51580 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37

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
SCHEMBL10711439 0.83 TDP1 (0.54) ALDH1A1CYP3A4NPC1RAB9ATDP1
SCHEMBL31359583 0.81 CES2 (0.43) GSK3BALDH1A1CYP3A4NPC1RAB9A
SCHEMBL14297444 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4NPC1RAB9ACA1
SCHEMBL5781380 0.81 CES2 (0.43) GSK3BALDH1A1CYP3A4NPC1RAB9A
SCHEMBL5781385 0.81 CES2 (0.43) GSK3BALDH1A1CYP3A4NPC1RAB9A
SCHEMBL3446600 0.81 ALDH1A1 (0.62) ALDH1A1CYP3A4NPC1RAB9ATDP1
SCHEMBL9418026 0.80 ELANE (0.53) ALDH1A1CYP3A4NPC1RAB9ATDP1
SCHEMBL31359582 0.80 TDP1 (0.58) ALDH1A1NPC1RAB9ACA1CA2
SCHEMBL14091072 0.79 HDAC1 (0.51) ALDH1A1CYP3A4NPC1RAB9ALMNA
SCHEMBL1964826 0.76 GSK3B (0.61) GSK3BALDH1A1TPMTRAB9ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292593-B1 2-(3,5-DISUBSTITUTED-4-PYRIDYL)-4-(THIENYL, THIAZOLYL OR ARYLPHENYL)-1,3-OXAZOLINE COMPOUNDS DOW AGROSCIENCES LLC (US) 2006-06-07 EP disclosed
US-6924298-B2 2-(3,5-Disubstituted-4-pyridyl)-4-(thienyl, thiazolyl or arylphenyl)-1,3-oxazoline compounds DOW AGROSCIENCES LLC (US) 2005-08-02 US disclosed
US-20040006108-A1 2-(3,5-Disubstituted-4-pyridyl)-4-(thienyl, thiazolyl or arylphenyl)-1,3-oxazoline compounds TISDELL FRANCIS EUGENE (US) 2004-01-08 US disclosed
EP-1292593-A2 2-(3,5-DISUBSTITUTED-4-PYRIDYL)-4-(THIENYL, THIAZOLYL OR ARYLPHENYL)-1,3-OXAZOLINE COMPOUNDS Dow AgroSciences LLC (US) 2003-03-19 EP disclosed
WO-2001098296-A2 2-(3,5-DISUBSTITUTED-4-PYRIDYL)-4-(THIENYL, THIAZOLYL OR ARYLPHENYL)-1,3-OXAZOLINE COMPOUNDS DOW AGROSCIENCES LLC (US) 2001-12-27 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-20040006108-A1 2-(3,5-Disubstituted-4-pyridyl)-4-(thienyl, thiazolyl or arylphenyl)-1,3-oxazoline compounds TARS2, TTL, TARS1 GSK3B 2537/4885ALDH1A1 1876/4885CYP3A4 1103/4885

“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.