SCHEMBL2441795

SCHEMBL2441795

O=C(O)NCC(CO)ONc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
HTR1A P08908 2/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
RAB9A P51151 2/20 0.36
KLK7 P49862 1/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
TP53 P04637 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
SCHEMBL2948740 0.76 MAPT (0.39) SMN1; SMN2ALDH1A1GAAKLK7MEN1
SCHEMBL2436746 0.76 MAPT (0.39) SMN1; SMN2ALDH1A1GAAKLK7MEN1
SCHEMBL812292 0.75 TRPA1 (0.43) ALDH1A1CYP2C19RAB9ANPC1MEN1
SCHEMBL809636 0.75 TRPA1 (0.43) ALDH1A1CYP2C19RAB9ANPC1MEN1
SCHEMBL3959061 0.74 SLC1A3 (0.44) SMN1; SMN2ALDH1A1CYP2D6CYP2C19RAB9A
SCHEMBL809579 0.73 HPGD (0.37) SMN1; SMN2ALDH1A1GAAMEN1MAPT
SCHEMBL812348 0.73 HPGD (0.37) SMN1; SMN2ALDH1A1GAAMEN1MAPT
SCHEMBL2437058 0.72 CYP2C19 (0.38) SMN1; SMN2ALDH1A1GAACYP2C19RAB9A
SCHEMBL2437063 0.72 CYP2C19 (0.38) SMN1; SMN2ALDH1A1GAACYP2C19RAB9A
SCHEMBL809522 0.72 TDP1 (0.40) SMN1; SMN2ALDH1A1GAARAB9ANPC1

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 SMN1; SMN2 3564/4885ALDH1A1 354/4885GAA 2917/4885
US-20140228564-A1 PROCESSES OF ENANTIOSELECTIVELY FORMING AN AMINOXY COMPOUND AND AN 1,2-OXAZINE COMPOUND AHR, CYP2S1, CYP1A1 SMN1; SMN2 3564/4885ALDH1A1 354/4885GAA 2917/4885

“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.