SCHEMBL5374468

SCHEMBL5374468

CC(C)(C)OC(=O)c1cnc(O)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.38
MET P08581 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABRA1 P14867 5/20 0.35
GABRG2 P18507 5/20 0.35
GABRB3 P28472 5/20 0.35
GABRA3 P34903 5/20 0.35
GABRA2 P47869 5/20 0.35
GABRA5 P31644 4/20 0.35
GABRA4 P48169 3/20 0.35
GABRA6 Q16445 3/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRE P78334 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35

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
SCHEMBL454098 0.85 ALDH1A1 (0.48) ALDH1A1TDP1L3MBTL1NTRK1NTRK2
SCHEMBL1424795 0.84 TDP1 (0.41) STAT3METALDH1A1TDP1L3MBTL1
SCHEMBL21094068 0.83 TDP1 (0.39) STAT3METALDH1A1TDP1L3MBTL1
SCHEMBL198706 0.81 MAPK1 (0.47) ALDH1A1TDP1L3MBTL1CA12CA1
SCHEMBL19759804 0.81 ALDH1A1 (0.39) STAT3METALDH1A1TDP1L3MBTL1
SCHEMBL5385127 0.81 CA12 (0.38) STAT3METALDH1A1TDP1L3MBTL1
SCHEMBL456041 0.80 STAT3 (0.41) STAT3METALDH1A1L3MBTL1CA12
SCHEMBL1424865 0.79 STAT3 (0.35) STAT3METALDH1A1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL453821 0.79 STAT3 (0.40) STAT3METALDH1A1L3MBTL1CA12
SCHEMBL25765619 0.78 ALDH1A1 (0.36) STAT3METALDH1A1TDP1L3MBTL1

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-7205409-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 US disclosed
WO-2005023762-A1 PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2005-03-17 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-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 STAT3 802/4885MET 531/4885ALDH1A1 2289/4885

“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.