SCHEMBL16984876

SCHEMBL16984876

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.51
▸ CTSS P25774 3/20 0.48
▸ CTSL P07711 2/20 0.48
▸ CTSB P07858 1/20 0.48
▸ S1PR4 O95977 2/20 0.47
▸ S1PR1 P21453 1/20 0.47
▸ IL1RN P18510 1/20 0.46
▸ ERAP2 Q6P179 1/20 0.46
▸ ERAP1 Q9NZ08 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL16984896 0.97 CTSK (0.48) CTSKCTSSCTSLCTSBS1PR4
SCHEMBL15594348 0.96 CTSK (0.52) CTSKCTSSCTSLCTSBIL1RN
SCHEMBL16984883 0.93 CAPN1 (0.53) CTSKCTSLIL1RNERAP2ERAP1
SCHEMBL15594313 0.91 CTSK (0.51) CTSKCTSSCTSLCTSBIL1RN
Hydrochloric Acid SCHEMBL16970549 0.90 CTSK (0.50) CTSKCTSSCTSLCTSBIL1RN
SCHEMBL16984900 0.90 MME (0.42) CTSKCTSSCTSLCTSBIL1RN
SCHEMBL16984897 0.89 CTSK (0.49) CTSKCTSSCTSLCTSBIL1RN
SCHEMBL16984878 0.88 CTSL (0.51) CTSKCTSSCTSLCTSBIL1RN
SCHEMBL16925150 0.87 MME (0.50) CTSKCTSSCTSLCTSBS1PR1
SCHEMBL16984903 0.87 CTSL (0.42) CTSKCTSSCTSLCTSBIL1RN

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-20150218212-A1 FLUORINATED EPOXYKETONE-BASED TETRAPEPTIDE COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS FLUORINOV PHARMA INC. (CA) 2015-08-06 — — 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-20150218212-A1 FLUORINATED EPOXYKETONE-BASED TETRAPEPTIDE COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS PSMA1, PSMB1, PSMB11 CTSK 137/4885CTSS 1820/4885CTSL 1335/4885

“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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