SCHEMBL7048372

SCHEMBL7048372

O=C(Nc1cccnc1)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCc1ccccc1)C(O)c1nc2ccccc2o1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.52
CTSS P25774 7/20 0.46
CTSL P07711 4/20 0.46
CTSB P07858 3/20 0.46
PSMB5 P28074 1/20 0.39
BDKRB2 P30411 1/20 0.38
REN P00797 2/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38
POLB P06746 1/20 0.37
C3AR1 Q16581 1/20 0.37

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
SCHEMBL6463634 0.88 FPR2 (0.47) FPR2CTSSCTSLCTSBPSMB5
SCHEMBL7043177 0.85 FPR2 (0.53) FPR2CTSSCTSLCTSBPSMB5
SCHEMBL7049025 0.85 CTSS (0.64) CTSSCTSLCTSBRENMMP1
SCHEMBL7044867 0.85 CTSS (0.48) CTSSCTSLCTSBRENMMP1
SCHEMBL7109606 0.85 CTSS (0.48) CTSSCTSLCTSBRENMMP1
SCHEMBL7047934 0.83 CTSS (0.46) CTSSCTSLCTSBRENMMP1
SCHEMBL7043449 0.81 CTSS (0.63) CTSSCTSLCTSBRENMMP1
SCHEMBL6464156 0.81 CTSS (0.43) CTSSCTSLCTSBRENMMP1
SCHEMBL7049437 0.81 CTSS (0.51) CTSSCTSLCTSBRENMMP1
SCHEMBL7045971 0.80 CTSS (0.64) CTSSCTSLCTSB

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 FPR2 2099/4885CTSS 9/4885CTSL 18/4885

“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.