SCHEMBL15727271

SCHEMBL15727271

C=CCOCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](COCC=C)NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
REN P00797 8/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CTSS P25774 3/20 0.35
BACE1 P56817 2/20 0.34
CTSK P43235 3/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PPARA Q07869 1/20 0.32

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
SCHEMBL15727246 0.93 SMN1; SMN2 (0.43) SMN1; SMN2RENNFKB1NFKB2RELA
SCHEMBL15727311 0.92 SMN1; SMN2 (0.39) SMN1; SMN2RENNFKB1NFKB2RELA
SCHEMBL15727250 0.92 SMN1; SMN2 (0.41) SMN1; SMN2NFKB1NFKB2RELACTSS
SCHEMBL23736256 0.89 SMN1; SMN2 (0.39) SMN1; SMN2RENNFKB1NFKB2RELA
SCHEMBL15727302 0.87 SMN1; SMN2 (0.42) SMN1; SMN2RENNFKB1NFKB2RELA
SCHEMBL7541004 0.87 SMN1; SMN2 (0.48) SMN1; SMN2NFKB1NFKB2RELACTSS
SCHEMBL28659964 0.87 SMN1; SMN2 (0.48) SMN1; SMN2NFKB1NFKB2RELACTSS
SCHEMBL615910 0.82 SMN1; SMN2 (0.50) SMN1; SMN2NFKB1NFKB2RELACTSS
SCHEMBL1604541 0.82 SMN1; SMN2 (0.50) SMN1; SMN2NFKB1NFKB2RELACTSS
SCHEMBL615909 0.82 SMN1; SMN2 (0.50) SMN1; SMN2NFKB1NFKB2RELACTSS

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-9309285-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
WO-2014081886-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
US-20140142029-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2014-05-22 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 (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-20140142029-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC SMN1; SMN2 1689/4885REN 861/4885NFKB1 809/4885

“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.