SCHEMBL17282916

SCHEMBL17282916

C[C@H](NC(=O)OC(C)(C)C)C(=O)Cn1cc(C(N)=O)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.38
CA5A P35218 1/20 0.38
ELANE P08246 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLS O94925 1/20 0.36
JAK2 O60674 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 2/20 0.35
GPR88 Q9GZN0 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
GLA P06280 2/20 0.34
TRPA1 O75762 1/20 0.34
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL17275413 0.88 MGAM (0.41) ALDH1A1GLSKMT2AMEN1MAPK1
SCHEMBL17275415 0.88 MGAM (0.41) ALDH1A1GLSKMT2AMEN1MAPK1
SCHEMBL28845239 0.83 ALDH1A1 (0.39) ALDH1A1GLSKMT2AMEN1MAPK1
SCHEMBL17275464 0.83 SCD (0.42) SCDCA5AALDH1A1KMT2AMEN1
SCHEMBL17275479 0.76 SCD (0.47) SCDCA5AALDH1A1KMT2AMEN1
SCHEMBL17275482 0.76 SCD (0.47) SCDCA5AALDH1A1KMT2AMEN1
SCHEMBL17282902 0.69 CA1 (0.49) GLSKMT2ACA1CA2CA7
SCHEMBL17275478 0.69 MGAM (0.45) ALDH1A1KMT2AMEN1MAPK1TSHR
SCHEMBL28616375 0.69 MGAM (0.45) ALDH1A1KMT2AMEN1MAPK1TSHR
SCHEMBL18680932 0.69 SCD (0.54) SCDCA5AALDH1A1MAPK1SMYD3

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
EP-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 EP 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 (1 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-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC SCD 1558/4885CA5A 4391/4885ELANE 833/4885

“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.