SCHEMBL2948701

SCHEMBL2948701

CCOC(=O)[C@@H](CC(=O)c1ccc2ccccc2c1)NC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PTPN1 P18031 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
P2RY12 Q9H244 1/20 0.43
MGAM O43451 3/20 0.43
GAA P10253 3/20 0.43
SI P14410 3/20 0.43
MGAM2 Q2M2H8 3/20 0.43
MAPT P10636 1/20 0.41
HDAC1 Q13547 3/20 0.41

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
SCHEMBL25275491 0.84 KMT2A (0.63) TACR1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL2947306 0.84 HDAC1 (0.52) SMN1; SMN2NPC1RAB9AKMT2AHDAC1
SCHEMBL13235318 0.81 ALDH1A1 (0.51) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5106153 0.80 NPC1 (0.51) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL656638 0.76 PDPK1 (0.53) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL29362884 0.76 ALDH1A1 (0.55) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL853199 0.76 ALDH1A1 (0.55) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL657387 0.75 PDPK1 (0.58) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL14577821 0.73 ADRB2 (0.52) SMN1; SMN2KDM4EHPGDNPC1RAB9A
SCHEMBL18397603 0.73 PIN1 (0.52) NPC1RAB9AMEN1KMT2AP2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1707559-B1 METHOD OF ENANTIOSELECTIVE NUCLEOPHILIC ADDITION REACTION OF AN ENAMIDE TO AN IMINE AND METHOD OF SYNTHESIZING ALPHA-AMINO-GAMMA-KETO ACID ESTER JAPAN SCIENCE & TECH AGENCY (JP) 2012-06-13 EP disclosed
US-7754898-B2 Method of enantioselective nucleophilic addition reaction of enamide to imine and synthesis method of α-amino-γ-keto acid ester JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-07-13 US disclosed
US-7754898-B2 Method of enantioselective nucleophilic addition reaction of enamide to imine and synthesis method of α-amino-γ-keto acid ester JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-07-13 US disclosed
US-7754898-B2 Method of enantioselective nucleophilic addition reaction of enamide to imine and synthesis method of α-amino-γ-keto acid ester JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-07-13 US disclosed
US-20070161804-A1 Method of enantioselective nucleophilic addition reaction of enamide to imine and synthesis method of a-amino-y-keto acid ester JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-07-12 US disclosed
US-20070161804-A1 Method of enantioselective nucleophilic addition reaction of enamide to imine and synthesis method of a-amino-y-keto acid ester JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-07-12 US disclosed
US-20070161804-A1 Method of enantioselective nucleophilic addition reaction of enamide to imine and synthesis method of a-amino-y-keto acid ester JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-07-12 US disclosed
EP-1707559-A1 METHOD OF ENANTHIO-SELECTIVE NUCLEOPHILIC ADDITION REACTION FOR CONVERSION OF ENAMIDE TO IMINE AND METHOD OF SYNTHESIZING ALPHA AMINO-GAMMA-KETO ACID ESTER Japan Science and Technology Agency (JP) 2006-10-04 EP 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-20070161804-A1 Method of enantioselective nucleophilic addition reaction of enamide to imine and synthesis method of a-amino-y-keto acid ester NAAA, ENY2, ASNS TACR1 3929/4885SMN1; SMN2 3315/4885KDM4E 2002/4885

“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.