SCHEMBL20100253

SCHEMBL20100253

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2N=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 14/20 0.49
F13A1 P00488 11/20 0.49
TGM1 P22735 8/20 0.49
TGM3 Q08188 1/20 0.48
GPR119 Q8TDV5 1/20 0.46
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
DTYMK P23919 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL13239816 0.83 TGM2 (0.59) TGM2F13A1TGM1TGM3GPR119
SCHEMBL1180627 0.82 TGM2 (0.60) TGM2F13A1TGM1TGM3ALDH1A1
SCHEMBL5262401 0.82 TGM2 (0.51) TGM2F13A1TGM1TGM3GPR119
SCHEMBL2252120 0.80 TGM2 (0.63) TGM2F13A1TGM1GPR119ALDH1A1
SCHEMBL4266289 0.80 CNR1 (0.59) TGM2F13A1TGM1TGM3ALDH1A1
SCHEMBL5259618 0.80 TGM2 (0.52) TGM2F13A1TGM1TGM3GPR119
SCHEMBL14672159 0.79 GPR119 (0.50) GPR119ALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL3248533 0.79 TGM2 (0.55) TGM2F13A1TGM1TGM3LMNA
SCHEMBL18229990 0.78 PKM (0.62) ALDH1A1LMNAGAA
SCHEMBL14266676 0.77 KMT2A (0.46) ALDH1A1TSHRSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US disclosed
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 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-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 TGM2 1616/4885F13A1 4557/4885TGM1 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.