SCHEMBL6850376

SCHEMBL6850376

C=CCNC(=O)C(=O)C(CC=C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C(=O)O)[C@H](C)CC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.42
F2RL1 P55085 3/20 0.41
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
REN P00797 1/20 0.41
MMP3 P08254 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL6849910 0.88 USP30 (0.44) F2RL1REN
SCHEMBL6850517 0.87 PSEN1 (0.44) F2RL1PSEN1PSEN2APH1BNCSTN
SCHEMBL6849973 0.86 REN (0.38) F2RL1PSEN1PSEN2APH1BNCSTN
SCHEMBL6850279 0.85 F2RL1 (0.42) CTSSF2RL1REN
SCHEMBL6850689 0.83 PSEN1 (0.46) F2RL1PSEN1PSEN2APH1BNCSTN
SCHEMBL6850092 0.83 LONP1 (0.54) CTSSF2RL1
SCHEMBL6845923 0.82 F2RL1 (0.43) CTSSF2RL1REN
SCHEMBL6848900 0.81 CTSS (0.37) CTSSF2RL1PSEN1PSEN2APH1B
SCHEMBL6848816 0.79 LONP1 (0.56) CTSSF2RL1
SCHEMBL6848769 0.74 LONP1 (0.54) CTSSF2RL1

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-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US disclosed
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 CTSS 135/4885F2RL1 1971/4885PSEN1 3082/4885

“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.