SCHEMBL16329068

SCHEMBL16329068

CC(=O)N[C@@H](CCCc1ccccc1)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.51
MMP1 P03956 3/20 0.49
MMP3 P08254 3/20 0.49
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN9A Q15858 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
PAM P19021 1/20 0.48

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
SCHEMBL24814078 0.91 ALB (0.56) GNPATMMP1MMP3CTSSCTSK
SCHEMBL14400980 0.90 GNPAT (0.61) GNPATMMP1MMP3CTSSCTSK
SCHEMBL5505937 0.90 GNPAT (0.61) GNPATMMP1MMP3CTSSCTSK
SCHEMBL8226798 0.86 CA12 (0.51) GNPATCA12CA1CA2CA3
SCHEMBL720665 0.86 CA12 (0.51) GNPATCA12CA1CA2CA3
SCHEMBL24814572 0.86 MMP1 (0.58) GNPATMMP1MMP3MMP9CPA1
SCHEMBL715466 0.86 CA12 (0.51) GNPATCA12CA1CA2CA3
SCHEMBL25058925 0.85 MMP3 (0.48) MMP1MMP3MMP9SMN1; SMN2CYP2D6
SCHEMBL24233258 0.85 MMP3 (0.48) MMP1MMP3MMP9SMN1; SMN2CYP2D6
SCHEMBL24233261 0.85 MMP3 (0.48) MMP1MMP3MMP9SMN1; SMN2CYP2D6

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-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 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-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP GNPAT 2037/4885MMP1 1283/4885MMP3 161/4885

“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.