SCHEMBL7620001

SCHEMBL7620001

C=CCC(CC=C)(NC(=O)C(CC1CCCCC1)NC(=O)C(NC(=O)C(CC(C)C)NC(C)=O)[C@H](C)CC)C(=O)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 2/20 0.37
REN P00797 2/20 0.37
TASP1 Q9H6P5 1/20 0.37
CPB2 Q96IY4 1/20 0.36
F2RL1 P55085 4/20 0.35
PSMB10 P40306 2/20 0.35
PSMB2 P49721 2/20 0.35
PSEN1 P49768 4/20 0.34
PSEN2 P49810 4/20 0.34
APH1B Q8WW43 4/20 0.34
NCSTN Q92542 4/20 0.34
APH1A Q96BI3 4/20 0.34
PSENEN Q9NZ42 4/20 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
SCHEMBL7610642 0.86 CTSD (0.42) MMP1MMP2MMP3RENPSEN1
SCHEMBL6849973 0.77 REN (0.38) MMP1MMP2MMP3RENCPB2
SCHEMBL29429781 0.70 CPB2 (0.49) RENCPB2F2RL1
SCHEMBL30451392 0.69 CPB2 (0.60) CPB2
SCHEMBL30451831 0.68 CPB2 (0.61) CPB2
SCHEMBL29429780 0.68 CPB2 (0.71) CPB2
SCHEMBL30657894 0.67 CPB2 (0.57) CPB2
SCHEMBL6850689 0.66 PSEN1 (0.46) MMP1MMP2MMP3RENF2RL1
SCHEMBL7349316 0.66 REN (0.66) REN
SCHEMBL7349332 0.66 REN (0.66) REN

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-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US claimed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 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-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 MMP1 850/4885MMP2 788/4885MMP3 279/4885

“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.