SCHEMBL1610078

SCHEMBL1610078

CC(C)(C)OC(=O)N[C@H](c1nc(-c2ccccc2)no1)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
ACACB O00763 5/20 0.47
PPARD Q03181 4/20 0.47
PPARA Q07869 4/20 0.47
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
S1PR3 Q99500 4/20 0.45
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43
S1PR1 P21453 2/20 0.43
S1PR4 O95977 1/20 0.43
FFAR1 O14842 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42

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
SCHEMBL29485563 0.87 TDP1 (0.61) TDP1ACACBPPARDPPARA
SCHEMBL6619964 0.86 TDP1 (0.53) TDP1ACACBPPARDPPARATSHR
SCHEMBL19196477 0.85 S1PR3 (0.60) TDP1ACACBPPARDPPARATSHR
SCHEMBL7001607 0.82 ALDH1A1 (0.57) TDP1PPARDPPARATSHRLMNA
SCHEMBL3622690 0.81 LMNA (0.44) TDP1ACACBPPARDPPARATSHR
SCHEMBL3622689 0.81 LMNA (0.44) TDP1ACACBPPARDPPARATSHR
SCHEMBL5521975 0.81 LMNA (0.44) TDP1ACACBPPARDPPARATSHR
SCHEMBL5693653 0.77 S1PR1 (0.51) TDP1ACACBPPARDPPARATSHR
SCHEMBL19311800 0.76 TP53 (0.60) TDP1ACACBPPARDPPARA
SCHEMBL22637183 0.76 S1PR3 (0.55) TSHRLMNAS1PR3GABRB1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2011-04-14 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-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 TDP1 2141/4885ACACB 2908/4885PPARD 2722/4885

“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.