SCHEMBL7048552

SCHEMBL7048552

O=C(N[C@@H](CC1CCCCC1)C(=O)N(CCCc1ccccc1)C(=O)c1nc2ccccc2o1)c1ccc(O)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.39
CTSL P07711 3/20 0.39
CTSB P07858 2/20 0.39
FAAH O00519 2/20 0.39
CES1 P23141 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
CASP3 P42574 1/20 0.36
GPR132 Q9UNW8 1/20 0.36
MMP3 P08254 5/20 0.36
MMP1 P03956 4/20 0.36
MMP2 P08253 4/20 0.36
MAPK14 Q16539 1/20 0.35
CTSK P43235 1/20 0.35
BDKRB2 P30411 1/20 0.34
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMA1 P25786 1/20 0.34
PSMA2 P25787 1/20 0.34
PSMA3 P25788 1/20 0.34

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
SCHEMBL6466348 0.85 FAAH (0.43) CTSSCTSLCTSBFAAHCES1
SCHEMBL7047588 0.84 FAAH (0.39) CTSSCTSLCTSBFAAHCES1
SCHEMBL7048554 0.82 CTSS (0.48) CTSSCTSLCTSBCASP3MMP3
Hydrochloric Acid SCHEMBL7114461 0.81 CTSS (0.44) CTSSCTSLCTSBFAAHCES1
SCHEMBL6063084 0.81 CTSS (0.53) CTSSCTSLCTSBFAAHCES1
SCHEMBL7049437 0.77 CTSS (0.51) CTSSCTSLCTSBMMP3MMP1
SCHEMBL6467342 0.76 DAGLA (0.41) CTSSFAAHCES1DAGLAMMP3
SCHEMBL6466564 0.73 DAGLA (0.41) CTSSFAAHCES1DAGLACASP3
SCHEMBL6463072 0.70 DAGLA (0.60) FAAHCES1DAGLA
SCHEMBL6465501 0.70 LONP1 (0.43) CTSLFAAHCES1DAGLAPSMB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CTSS 9/4885CTSL 18/4885CTSB 11/4885

“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.