SCHEMBL18681276

SCHEMBL18681276

C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC(F)(F)C[C@H]1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ CNR2 P34972 13/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ PSMB9 P28065 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ CNR1 P21554 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
SCHEMBL18675244 0.88 PSMB9 (0.35) OPRM1OPRK1DPP4PSMB9HDAC8
SCHEMBL17282583 0.86 OPRM1 (0.44) OPRM1OPRK1CNR2DPP4PSMB9
SCHEMBL25496865 0.86 HDAC8 (0.45) OPRM1OPRK1CNR2HDAC8
SCHEMBL22280077 0.86 HDAC8 (0.45) OPRM1OPRK1CNR2HDAC8
SCHEMBL25494519 0.79 OPRM1 (0.42) OPRM1OPRK1CNR2DPP4PIK3CA
SCHEMBL3601920 0.78 HDAC8 (0.47) OPRM1OPRK1HDAC8
SCHEMBL18681135 0.77 PREP (0.38) DPP4PIK3CA
SCHEMBL18681117 0.76 PIN1 (0.52) CNR2DPP4PSMB9PIK3CA
SCHEMBL18681072 0.75 PREP (0.45) PIK3CA
SCHEMBL5203085 0.74 HDAC8 (0.51) OPRM1OPRK1CNR2DPP4HDAC8

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-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

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 OPRM1 2215/4885OPRK1 1467/4885CNR2 4786/4885
US-10392422-B2 Macrocyclic broad spectrum antibiotics MRPL21, PEPD, CTSC OPRM1 2610/4885OPRK1 1956/4885CNR2 4813/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC OPRM1 2610/4885OPRK1 1956/4885CNR2 4813/4885

“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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