SCHEMBL20869858

SCHEMBL20869858

CCCCCCN1CC(=O)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
MGLL Q99685 3/20 0.40
FAAH O00519 2/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX5 P09917 2/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PLA2G2A P14555 2/20 0.36
NAAA Q02083 1/20 0.36
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
G6PD P11413 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL21158528 1.00 GBA1 (0.41) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL11344678 0.98 ALDH1A1 (0.40) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL31293551 0.92 L3MBTL1 (0.36) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL28489580 0.75 GAA (0.50) FAAHALDH1A1GAAMAPTTHRB
SCHEMBL8803997 0.71 PLA2G2A (0.47) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL4860823 0.70 NAAA (0.54) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL8512828 0.70 NAAA (0.54) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL9250191 0.70 NAAA (0.54) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL419534 0.70 NAAA (0.54) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL14184720 0.70 NAAA (0.54) GBA1PTGS1PTGS2MGLLFAAH

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-11180500-B2 Derivatives of relebactam and uses thereof ARIXA PHARMACEUTICALS, INC. (US) 2021-11-23 US disclosed
US-20200102307-A1 DERIVATIVES OF RELEBACTAM AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2020-04-02 US disclosed
US-20190100516-A1 AZTREONAM DERIVATIVES AND USES THEREOF ARIXA PHARMACEUTICALS, INC. 2019-04-04 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-20190100516-A1 AZTREONAM DERIVATIVES AND USES THEREOF MGAM, ABCG2, SI GBA1 1382/4885PTGS1 4151/4885PTGS2 4118/4885
US-20200102307-A1 DERIVATIVES OF RELEBACTAM AND USES THEREOF NRDC, MRPL19, MRPL12 GBA1 766/4885PTGS1 4579/4885PTGS2 4532/4885
US-11180500-B2 Derivatives of relebactam and uses thereof NRDC, MRPL19, MRPL12 GBA1 766/4885PTGS1 4579/4885PTGS2 4532/4885

“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.