SCHEMBL18675244

SCHEMBL18675244

CC(=O)[C@@H]1CC(F)(F)CN1C(=O)[C@H](C)NC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 3/20 0.35
▸ OPRM1 P35372 3/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ PREP P48147 1/20 0.33
▸ FAP Q12884 1/20 0.33
▸ DPP4 P27487 2/20 0.32
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP7 Q9UHL4 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL18681276 0.88 OPRM1 (0.41) PSMB9OPRM1OPRK1HDAC8DPP4
SCHEMBL16300657 0.77 DPP4 (0.34) OPRM1OPRK1DPP4DPP8DPP7
SCHEMBL18675236 0.77 PREP (0.41) PREPFAPDPP4DPP8KDM4E
SCHEMBL17282583 0.76 OPRM1 (0.44) PSMB9OPRM1OPRK1PREPFAP
SCHEMBL18675243 0.75 PIN1 (0.42) PSMB9PREPFAPDPP4DPP8
SCHEMBL18675240 0.74 PREP (0.49) PREPFAPDPP4DPP8KDM4E
SCHEMBL22280077 0.74 HDAC8 (0.45) OPRM1OPRK1HDAC8
SCHEMBL25496865 0.74 HDAC8 (0.45) OPRM1OPRK1HDAC8
SCHEMBL18675250 0.73 PREP (0.45) PREPFAPKDM4EALDH1A1
SCHEMBL18675241 0.73 ATM (0.44) PREPFAPDPP4DPP8DPP7

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 1 patent. 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

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 PSMB9 340/4885OPRM1 2610/4885OPRK1 1956/4885

“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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