SCHEMBL15727160

SCHEMBL15727160

C[C@H](NC(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 1/20 0.44
▸ FAP Q12884 1/20 0.44
▸ PEPD P12955 2/20 0.42
▸ ELANE P08246 3/20 0.41
▸ ACE P12821 7/20 0.40
▸ REN P00797 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL11432343 0.87 ACE (0.54) PEPDACERENKDM4EF2
SCHEMBL18681072 0.87 PREP (0.45) PREPFAPPEPDACEREN
SCHEMBL26616440 0.84 PREP (0.47) PREPFAPPEPDACEREN
SCHEMBL26616435 0.84 PREP (0.47) PREPFAPPEPDACEREN
SCHEMBL26616445 0.84 PREP (0.47) PREPFAPPEPDACEREN
SCHEMBL23314580 0.84 PREP (0.61) PREPFAPPEPDACEREN
SCHEMBL18681357 0.83 PREP (0.41) PREPFAPPEPDACEREN
SCHEMBL17117574 0.83 PREP (0.46) PREPFAPPEPDACEREN
SCHEMBL13402537 0.82 FAP (0.45) PREPFAPPEPDACEREN
SCHEMBL17282695 0.81 CMA1 (0.44) PREPFAPELANEACEF2

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 PREP 16/4885FAP 206/4885PEPD 2/4885

“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.

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