SCHEMBL1610079

SCHEMBL1610079

CC(C)(CNC(=O)OC(C)(C)C)Cc1nc(-c2ccccc2)no1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
HPGD P15428 2/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NOTUM Q6P988 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
S1PR1 P21453 1/20 0.45

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
SCHEMBL6619965 0.87 TSHR (0.56) TSHRHPGDALDH1A1GAANOTUM
SCHEMBL14846086 0.84 CYP1A2 (0.58) TSHRHPGDALDH1A1GAAKMT2A
SCHEMBL14736015 0.84 PDE10A (0.52) TSHRHPGDALDH1A1GAAKMT2A
SCHEMBL29096990 0.76 ALDH1A1 (0.50) TSHRHPGDALDH1A1GAAKMT2A
SCHEMBL7001602 0.76 ALDH1A1 (0.49) TSHRHPGDALDH1A1GAAKMT2A
SCHEMBL4516428 0.75 GPR119 (0.53) ALDH1A1KMT2AMEN1GPR119
SCHEMBL14679174 0.75 MAPT (0.66) TSHRHPGDALDH1A1KMT2A
SCHEMBL3616245 0.75 NOTUM (0.58) TSHRALDH1A1GAAKMT2AMEN1
SCHEMBL4890499 0.74 ALDH1A1 (0.45) TSHRHPGDALDH1A1GAAKMT2A
SCHEMBL14736589 0.74 PDE10A (0.56) TSHRHPGDALDH1A1GAAKMT2A

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 TSHR 1756/4885HPGD 37/4885ALDH1A1 193/4885

“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.