SCHEMBL16970534

SCHEMBL16970534

CC(C)C[C@H](NC(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](COC(F)F)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.47
▸ CTSL P07711 4/20 0.46
▸ MMP3 P08254 3/20 0.46
▸ MME P08473 2/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ CPA2 P48052 1/20 0.46
▸ CPA4 Q9UI42 1/20 0.46
▸ ERAP2 Q6P179 1/20 0.46
▸ ERAP1 Q9NZ08 1/20 0.46
▸ LNPEP Q9UIQ6 1/20 0.46
▸ CTSB P07858 1/20 0.44
▸ ANPEP P15144 1/20 0.44
▸ MMP2 P08253 1/20 0.44

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
SCHEMBL16970557 0.91 ACE (0.46) MMECPA1ERAP2ERAP1LNPEP
SCHEMBL16970559 0.91 MME (0.47) MMECPA1ERAP2ERAP1LNPEP
SCHEMBL16984878 0.91 CTSL (0.51) CTSLMMP3ERAP2ERAP1CTSB
SCHEMBL16970519 0.86 ACE (0.54) MMECPA1ERAP2ERAP1LNPEP
SCHEMBL17706116 0.85 LTA4H (0.61) LTA4HMMP3MMEERAP2ERAP1
SCHEMBL16970563 0.85 LTA4H (0.54) LTA4HMMECPA1MMP2
SCHEMBL17948645 0.85 LTA4H (0.58) LTA4HMMEMMP2
Hydrochloric Acid SCHEMBL15634706 0.84 LTA4H (0.60) LTA4HMMP3MMEERAP2ERAP1
Hydrochloric Acid SCHEMBL15634708 0.84 LTA4H (0.60) LTA4HMMP3MMEERAP2ERAP1
Hydrochloric Acid SCHEMBL19741503 0.84 LTA4H (0.57) LTA4HMMEMMP2

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 LTA4H 886/4885CTSL 1335/4885MMP3 3323/4885

“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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