SCHEMBL2031099

SCHEMBL2031099

Cc1ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 7/20 0.34
KDM4E B2RXH2 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33

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
SCHEMBL22115069 0.84 CISD2 (0.36) MAPTSMN1; SMN2KDM4ENPC1TDP1
SCHEMBL28743743 0.83 GABRG2 (0.35) SSTR4HTTRAB9ANPC1KMT2A
SCHEMBL7637443 0.83 NR1H2 (0.37) SSTR4ALDH1A1HTTRAB9ANPC1
SCHEMBL16398545 0.82 HCAR3 (0.36) ALDH1A1HPGDMAPTKDM4EHTT
SCHEMBL2033294 0.81 SSTR4 (0.37) SSTR4
SCHEMBL17969019 0.80 NOTUM (0.50) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL31431932 0.79 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2HTTRAB9A
SCHEMBL22519221 0.78 CYP46A1 (0.43) ALDH1A1HPGDMAPTKDM4EHSP90AA1
SCHEMBL23436762 0.77 SSTR4 (0.35) SSTR4ALDH1A1MAPTTSHR
SCHEMBL22114690 0.77 TSHR (0.46) ALDH1A1KDM4ETDP1GAATSHR

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-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 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-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS SSTR4 3615/4885MKNK1 228/4885ALDH1A1 1117/4885

“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.