SCHEMBL2269068

SCHEMBL2269068

NC(=O)OC(=O)c1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GPR84 Q9NQS5 4/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.37
CA1 P00915 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.34
YTHDF3 Q7Z739 1/20 0.32
YTHDF1 Q9BYJ9 1/20 0.32
YTHDF2 Q9Y5A9 1/20 0.32

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
SCHEMBL11841644 0.88 CYP1A2 (0.71) CYP1A2LMNAALDH1A1GPR84MEN1
Ammonia Solution, Strong SCHEMBL28111982 0.86 CYP1A2 (0.69) CYP1A2LMNAALDH1A1GPR84MEN1
SCHEMBL27735725 0.82 CYP1A2 (0.69) CYP1A2LMNAALDH1A1GPR84MEN1
SCHEMBL11042365 0.81 CYP1A2 (0.68) CYP1A2LMNAALDH1A1GPR84MEN1
SCHEMBL11884800 0.80 CYP1A2 (0.56) CYP1A2LMNAALDH1A1GPR84MEN1
SCHEMBL26640809 0.79 CYP1A2 (0.64) CYP1A2LMNAALDH1A1GPR84MEN1
SCHEMBL4283121 0.79 CYP1A2 (0.64) CYP1A2LMNAALDH1A1GPR84MEN1
SCHEMBL28078211 0.79 CYP1A2 (0.69) CYP1A2LMNAALDH1A1GPR84MEN1
SCHEMBL3457903 0.78 ALDH1A1 (0.65) CYP1A2LMNAALDH1A1GPR84MEN1
SCHEMBL2516165 0.78 CYP1A2 (0.62) CYP1A2LMNAALDH1A1GPR84MEN1

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-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE PHARMACEUTICALS, INC. (US) 2011-08-04 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-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF OPRK1, OPRL1, OPRM1 CYP1A2 24/4885LMNA 4680/4885ALDH1A1 225/4885

“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.