SCHEMBL3076893

SCHEMBL3076893

CCOC(=O)n1c(C(=O)OC(C)(C)C)cc2ccc(Br)cc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
USP30 Q70CQ3 1/20 0.43
CCR9 P51686 1/20 0.41
NOD2 Q9HC29 2/20 0.40
NOD1 Q9Y239 2/20 0.40
OXER1 Q8TDS5 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NR1H2 P55055 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MCL1 Q07820 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL31095788 0.92 NOD2 (0.45) ALDH1A1USP30CCR9NOD2NOD1
SCHEMBL3371321 0.82 USP30 (0.49) USP30CCR9NR1H2
SCHEMBL30071461 0.82 USP30 (0.49) USP30CCR9NR1H2
SCHEMBL1313682 0.82 NOD2 (0.45) ALDH1A1USP30NOD2NOD1LMNA
SCHEMBL5623839 0.79 NOD2 (0.52) ALDH1A1CCR9NOD2NOD1SMN1; SMN2
SCHEMBL27247821 0.79 USP30 (0.47) USP30CCR9NR1H2MCL1
SCHEMBL3076889 0.78 PRMT5 (0.38) USP30NOD2NOD1MEN1KMT2A
SCHEMBL3091728 0.78 LMNA (0.49) ALDH1A1NOD2NOD1LMNASMN1; SMN2
SCHEMBL13173591 0.78 NOD2 (0.46) ALDH1A1NOD2NOD1LMNASMN1; SMN2
SCHEMBL26683840 0.78 L3MBTL1 (0.44) ALDH1A1USP30CCR9OXER1NR1H2

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-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2010-09-09 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-20100227858-A1 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES MTOR, PIK3CA, PIK3CD ALDH1A1 2519/4885USP30 4369/4885CCR9 3823/4885

“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.