SCHEMBL16200883

SCHEMBL16200883

C#CCN(C(=O)OC(C)(C)C)C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
BTK Q06187 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 4/20 0.32
HPGD P15428 1/20 0.32
CCR5 P51681 1/20 0.31
HSD11B1 P28845 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
EPHX1 P07099 1/20 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
SCHEMBL25784228 0.89 DPP4 (0.35) DPP4
SCHEMBL12090756 0.84 HSD11B1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL24577501 0.84 DPP4 (0.56) DPP4BTKMEN1KMT2AALDH1A1
SCHEMBL8707506 0.83 DPP4 (0.38) DPP4MEN1KMT2AALDH1A1MAPT
SCHEMBL10313873 0.81 PDK2 (0.36) HPGDCCR5HSD11B1
SCHEMBL22711094 0.81 NR1H2 (0.43) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL28465532 0.81 HSD11B1 (0.36) MEN1KMT2AALDH1A1MAPTCCR5
SCHEMBL27510109 0.78 EPHX1 (0.39) DPP4HSD11B1EPHX1
SCHEMBL25032511 0.78 ACHE (0.36) DPP4MEN1KMT2AALDH1A1MAPT
SCHEMBL23482261 0.77 CTSS (0.34) BTKMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038482-A1 ISOXAZOLE BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. 2015-02-05 US disclosed
US-20150038479-A1 ISOXAZOLE BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. 2015-02-05 US disclosed
US-8927724-B2 Isoxazole beta-lactamase inhibitors CUBIST PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-20140323459-A1 ISOXAZOLE BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. 2014-10-30 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 (3 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-20150038482-A1 ISOXAZOLE BETA-LACTAMASE INHIBITORS ALPL, MGAM, PEPD DPP4 218/4885BTK 834/4885MEN1 4087/4885
US-20150038479-A1 ISOXAZOLE BETA-LACTAMASE INHIBITORS ALPL, MGAM, PEPD DPP4 218/4885BTK 834/4885MEN1 4087/4885
US-20140323459-A1 ISOXAZOLE BETA-LACTAMASE INHIBITORS ALPL, MGAM, PEPD DPP4 218/4885BTK 834/4885MEN1 4087/4885

“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.