SCHEMBL17282930

SCHEMBL17282930

C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NNC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.62
CMA1 P23946 13/20 0.56
ACE P12821 1/20 0.51
ELANE P08246 1/20 0.50
CTSL P07711 1/20 0.50
KLK5 Q9Y337 1/20 0.49
REN P00797 1/20 0.48

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
SCHEMBL9699162 0.90 CMA1 (0.58) PREPCMA1ACECTSLKLK5
SCHEMBL9699156 0.90 CMA1 (0.58) PREPCMA1ACECTSLKLK5
SCHEMBL3469545 0.90 PREP (0.65) PREPCMA1ACEELANECTSL
SCHEMBL10416187 0.90 PREP (0.65) PREPCMA1ACEELANECTSL
SCHEMBL28545846 0.89 PREP (0.61) PREPCMA1ACECTSLKLK5
SCHEMBL7265704 0.89 PREP (0.61) PREPCMA1ACECTSLKLK5
SCHEMBL10882017 0.89 PREP (0.61) PREPCMA1ACECTSLKLK5
SCHEMBL9699149 0.89 PREP (0.61) PREPCMA1ACECTSLKLK5
SCHEMBL11517511 0.87 PREP (0.70) PREPCMA1ACEELANEREN
SCHEMBL9699161 0.86 CMA1 (0.65) PREPCMA1ACE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PREP 16/4885CMA1 674/4885ACE 170/4885

“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.