SCHEMBL2437063

SCHEMBL2437063

C=CCC(CO)ONc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
TGM2 P21980 1/20 0.33
HDAC2 Q92769 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MITF O75030 1/20 0.32
RAB9A P51151 1/20 0.32
UBE2I P63279 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
ATM Q13315 2/20 0.31

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
SCHEMBL2437058 1.00 CYP2C19 (0.38) CYP2C19SMN1; SMN2CYP1A2MAPTKDM4E
SCHEMBL2436746 0.77 MAPT (0.39) SMN1; SMN2MAPTLMNAALDH1A1MEN1
SCHEMBL2948740 0.77 MAPT (0.39) SMN1; SMN2MAPTLMNAALDH1A1MEN1
SCHEMBL809636 0.76 TRPA1 (0.43) CYP2C19CYP1A2MAPTKDM4EALDH1A1
SCHEMBL812292 0.76 TRPA1 (0.43) CYP2C19CYP1A2MAPTKDM4EALDH1A1
SCHEMBL812348 0.75 HPGD (0.37) SMN1; SMN2MAPTHDAC2ALDH1A1MEN1
SCHEMBL809579 0.75 HPGD (0.37) SMN1; SMN2MAPTHDAC2ALDH1A1MEN1
SCHEMBL1811046 0.74 CYP2C19 (0.41) CYP2C19SMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL2441795 0.72 SMN1; SMN2 (0.37) CYP2C19SMN1; SMN2CYP1A2MAPTLMNA
SCHEMBL812430 0.72 ALDH1A1 (0.40) SMN1; SMN2MAPTKDM4EHDAC2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140228564-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-08-14 US disclosed
US-8680335-B2 Processes of enantioselectively forming an aminoxy compound and an 1,2-oxazine compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-03-25 US disclosed
US-20110224429-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-09-15 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 (2 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-20110224429-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND AHR, CYP2S1, CYP1A1 CYP2C19 58/4885SMN1; SMN2 3564/4885CYP1A2 4/4885
US-20140228564-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND AHR, CYP2S1, CYP1A1 CYP2C19 58/4885SMN1; SMN2 3564/4885CYP1A2 4/4885

“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.