SCHEMBL16925150

SCHEMBL16925150

N[C@@H](COC(F)F)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.50
▸ ANPEP P15144 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ TACR1 P25103 3/20 0.48
▸ ACE P12821 1/20 0.47
▸ CTSL P07711 3/20 0.47
▸ MBTPS1 Q14703 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ MAPT P10636 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ TYR P14679 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL16984895 0.97 MME (0.48) MMEANPEPPOLBTACR1ACE
SCHEMBL16984900 0.93 MME (0.42) MMEANPEPPOLBTACR1ACE
SCHEMBL16984883 0.92 CAPN1 (0.53) CTSLCTSK
SCHEMBL16984799 0.91 CTSC (0.47) MMEANPEPPOLBTACR1ACE
SCHEMBL16984903 0.91 CTSL (0.42) MMEANPEPPOLBCTSLCTSB
SCHEMBL16984886 0.88 CTSC (0.45) MMEANPEPPOLBTACR1ACE
SCHEMBL16984915 0.88 CTSL (0.43) MMEANPEPACECTSLCTSB
SCHEMBL16984885 0.88 MME (0.47) MMEANPEPPOLBTACR1CTSL
SCHEMBL16970552 0.88 MME (0.55) MMEACE
SCHEMBL16984876 0.87 CTSK (0.51) CTSLCTSBCTSSCTSKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160347792-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2016-12-01 — — US disclosed
US-9441012-B2 Fluorinated epoxyketone-based compounds and uses thereof as proteasome inhibitors TRILLIUM THERAPEUTICS INC. (CA) 2016-09-13 — — US disclosed
US-20150218212-A1 FLUORINATED EPOXYKETONE-BASED TETRAPEPTIDE COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS FLUORINOV PHARMA INC. (CA) 2015-08-06 — — US disclosed
US-20150203534-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS FLUORINOV PHARMA INC. (CA) 2015-07-23 — — 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-20160347792-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS PSMB5, PSMB1, PSMB7 MME 494/4885ANPEP 1458/4885POLB 1029/4885
US-20150218212-A1 FLUORINATED EPOXYKETONE-BASED TETRAPEPTIDE COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS PSMA1, PSMB1, PSMB11 MME 192/4885ANPEP 119/4885POLB 1372/4885
US-20150203534-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS PSMB5, PSMB1, PSMB7 MME 553/4885ANPEP 1532/4885POLB 1023/4885

“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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