SCHEMBL17282900

SCHEMBL17282900

CC(C)(C)OC(=O)NCC(=O)C1CO1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
EPHX1 P07099 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GAA P10253 2/20 0.39
HTT P42858 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
BTK Q06187 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
EPHX2 P34913 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
SCHEMBL9931314 0.79 KMT2A (0.50) HCRTR2KMT2AMEN1ALDH1A1TSHR
SCHEMBL22043508 0.77 KMT2A (0.43) HCRTR2KMT2AMEN1ALDH1A1TSHR
SCHEMBL29873938 0.76 KMT2A (0.43) HCRTR2KMT2AMEN1ALDH1A1TSHR
SCHEMBL23367237 0.76 KMT2A (0.43) HCRTR2KMT2AMEN1ALDH1A1TSHR
SCHEMBL29618895 0.76 BTK (0.50) HCRTR2KMT2AMEN1ALDH1A1TSHR
SCHEMBL23366831 0.76 EPHX1 (0.51) HCRTR2KMT2AMEN1ALDH1A1TSHR
SCHEMBL23366889 0.76 KMT2A (0.45) HCRTR2KMT2AMEN1ALDH1A1TSHR
SCHEMBL2750096 0.75 HCRTR2 (0.47) HCRTR2KMT2AMEN1ALDH1A1TSHR
SCHEMBL590406 0.75 HCRTR2 (0.47) HCRTR2KMT2AMEN1ALDH1A1TSHR
SCHEMBL590405 0.75 HCRTR2 (0.47) HCRTR2KMT2AMEN1ALDH1A1TSHR

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-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 EP disclosed
US-10392422-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2019-08-27 US disclosed
US-10351595-B2 2019-07-16 US disclosed
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 US disclosed
WO-2015179441-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2015-11-26 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 (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-10351595-B2 MRPL21, PRSS1, PEPD HCRTR2 4872/4885KMT2A 4084/4885MEN1 3458/4885
US-10392422-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC HCRTR2 4870/4885KMT2A 3283/4885MEN1 2531/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC HCRTR2 4870/4885KMT2A 3283/4885MEN1 2531/4885

“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.