SCHEMBL2853346

SCHEMBL2853346

COC(=O)C=C(Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
DPP4 P27487 4/20 0.35
RORC P51449 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
AAK1 Q2M2I8 3/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
KDM4E B2RXH2 1/20 0.30
APLNR P35414 1/20 0.30

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
SCHEMBL30136598 1.00 MTNR1A (0.38) MTNR1AMTNR1BDPP4RORCNFKB1
SCHEMBL2853339 1.00 MTNR1A (0.38) MTNR1AMTNR1BDPP4RORCNFKB1
SCHEMBL22484264 0.89 DPP4 (0.36) MTNR1AMTNR1BDPP4RORCSMN1; SMN2
SCHEMBL4108255 0.87 DPP4 (0.35) MTNR1AMTNR1BDPP4RORCSMN1; SMN2
SCHEMBL4108252 0.87 DPP4 (0.35) MTNR1AMTNR1BDPP4RORCSMN1; SMN2
SCHEMBL29738304 0.83 SMN1; SMN2 (0.38) MTNR1AMTNR1BDPP4RORCSMN1; SMN2
SCHEMBL28674890 0.83 SMN1; SMN2 (0.38) MTNR1AMTNR1BDPP4RORCSMN1; SMN2
SCHEMBL2859258 0.83 SMN1; SMN2 (0.38) MTNR1AMTNR1BDPP4RORCSMN1; SMN2
SCHEMBL13780954 0.79 DPP4 (0.36) DPP4RORCSMN1; SMN2
SCHEMBL22484266 0.78 MTNR1A (0.37) MTNR1AMTNR1BRORCSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2381772-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF N-ACYLATED-4-ARYL BETA-AMINO ACID DERIVATIVES CHIRAL QUEST INC (US) 2016-08-24 EP disclosed
US-8278486-B2 Process and intermediates for the preparation of N-acylated-4-aryl beta-amino acid derivatives CHIRAL QUEST, INC. (US) 2012-10-02 US disclosed
US-20100280245-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF N-ACYLATED-4-ARYL BETA-AMINO ACID DERIVATIVES CHIRAL QUEST, INC. 2010-11-04 US disclosed
US-20090192326-A1 Preparation of sitagliptin intermediate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-30 US disclosed
WO-2009064476-A1 PREPARATION OF SITAGLIPTIN INTERMEDIATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-22 WO 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-20090192326-A1 Preparation of sitagliptin intermediate DPP4, DPP7, DPP3 MTNR1A 1829/4885MTNR1B 1158/4885DPP4 1/4885
US-20100280245-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF N-ACYLATED-4-ARYL BETA-AMINO ACID DERIVATIVES NR4A3, GRIA3, NR2C2 MTNR1A 317/4885MTNR1B 712/4885DPP4 3380/4885

“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.