SCHEMBL17282983

SCHEMBL17282983

C[C@H](NC(=O)OC(C)(C)C)C(=O)/C=C/c1cc[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 2/20 0.38
EPHX2 P34913 1/20 0.37
TRPA1 O75762 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GLS O94925 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
RAB9A P51151 1/20 0.34
RCE1 Q9Y256 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL18681057 0.84 NPSR1 (0.38)
SCHEMBL17282612 0.82 MTNR1A (0.34) KDM4EGAAMAPT
SCHEMBL17282881 0.81 KDM4E (0.37) KDM4EHPGDALDH1A1GLAEPHX2
SCHEMBL17282984 0.79 MMP2 (0.32)
SCHEMBL16492820 0.73 CA1 (0.49) KDM4EHPGDGLAGAAMAPT
SCHEMBL16492729 0.73 CA1 (0.49) KDM4EHPGDGLAGAAMAPT
SCHEMBL29168193 0.72 KMT2A (0.44) ALDH1A1TRPA1MAPTKMT2AMEN1
SCHEMBL29168092 0.72 KMT2A (0.44) ALDH1A1TRPA1MAPTKMT2AMEN1
SCHEMBL29168192 0.72 KMT2A (0.44) ALDH1A1TRPA1MAPTKMT2AMEN1
SCHEMBL18681292 0.71 GLS (0.40) KDM4EHPGDGLAEPHX2TRPA1

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 KDM4E 2486/4885HPGD 3788/4885ALDH1A1 2620/4885
US-10392422-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC KDM4E 1763/4885HPGD 4261/4885ALDH1A1 2364/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC KDM4E 1763/4885HPGD 4261/4885ALDH1A1 2364/4885

“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.