SCHEMBL8404696

SCHEMBL8404696

C=CCCCOC[C@@H](C=O)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.50
PLA2G2C Q5R387 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6857497 0.85 CTSK (0.55) CTSK
SCHEMBL15613759 0.85 CTSK (0.55) CTSK
SCHEMBL12607856 0.83 CTSK (0.57) CTSK
SCHEMBL26390143 0.83 PLA2G2C (0.40) CTSKPLA2G2CSMN1; SMN2
SCHEMBL1647047 0.82 PPARA (0.49) CTSKPLA2G2CSMN1; SMN2
SCHEMBL1647050 0.82 PPARA (0.49) CTSKPLA2G2CSMN1; SMN2
SCHEMBL10274067 0.81 CTSK (0.57) CTSK
SCHEMBL6032007 0.81 SMN1; SMN2 (0.44) CTSKPLA2G2CSMN1; SMN2
SCHEMBL27762620 0.81 SMN1; SMN2 (0.44) CTSKPLA2G2CSMN1; SMN2
SCHEMBL24963649 0.78 CTSK (0.62) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772183-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7763584-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-27 US disclosed
US-20080145334-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-06-19 US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 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 (2 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-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS CTSK 593/4885PLA2G2C 997/4885SMN1; SMN2 4802/4885
US-20080145334-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, VIP CTSK 390/4885PLA2G2C 522/4885SMN1; SMN2 4614/4885

“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.