SCHEMBL9949256

SCHEMBL9949256

CC(=O)NCCC[C@@H](NO)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.55
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
ADRA1A P35348 1/20 0.46
PAOX Q6QHF9 3/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ALB P02768 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38

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
SCHEMBL3438496 0.94 FOLH1 (0.62) FOLH1KDM4EMAPK1HIF1AADRA1A
SCHEMBL25357681 0.85 FOLH1 (0.55) FOLH1KDM4EMAPK1HIF1AADRA1A
Bisorcic SCHEMBL16238411 0.85 FOLH1 (0.64) FOLH1KDM4EMAPK1HIF1AADRA1A
SCHEMBL25357677 0.85 FOLH1 (0.55) FOLH1KDM4EMAPK1HIF1AADRA1A
Bisorcic SCHEMBL2109664 0.85 FOLH1 (0.64) FOLH1KDM4EMAPK1HIF1AADRA1A
Bisorcic SCHEMBL2109666 0.85 FOLH1 (0.64) FOLH1KDM4EMAPK1HIF1AADRA1A
Acetic Acid SCHEMBL2304560 0.81 FOLH1 (0.39) FOLH1ALBSMN1; SMN2MEN1GAA
SCHEMBL2993887 0.81 C3AR1 (0.51) FOLH1MEN1GAAKMT2ANOD1
SCHEMBL27743728 0.81 C3AR1 (0.51) FOLH1MEN1GAAKMT2ANOD1
SCHEMBL7911959 0.80 FOLH1 (0.48) FOLH1KDM4EMAPK1HIF1AALB

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-9035062-B2 Process for preparing a compound useful for producing an optically active diazabicyclooctane compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-05-19 US disclosed
US-20140303375-A1 PROCESS FOR PREPARING A COMPOUND USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND Meiji Seika Pharma. Co., Ltd. (JP) 2014-10-09 US disclosed
US-8772490-B2 Optically active diazabicyclooctane derivatives and process for preparing the same MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-07-08 US disclosed
US-20120165533-A1 OPTICALLY ACTIVE DIAZABICYCLOOCTANE DERIVATIVES AND PROCESS FOR PREPARING THE SAME MEIJI SEIKA PHARMA CO., LTD. (JP) 2012-06-28 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-20120165533-A1 OPTICALLY ACTIVE DIAZABICYCLOOCTANE DERIVATIVES AND PROCESS FOR PREPARING THE SAME DCXR, CBR1, DECR1 FOLH1 2153/4885KDM4E 1404/4885MAPK1 2821/4885
US-20140303375-A1 PROCESS FOR PREPARING A COMPOUND USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND TBC1D15, TBC1D5, TERT FOLH1 3471/4885KDM4E 1199/4885MAPK1 607/4885

“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.