SCHEMBL866162

SCHEMBL866162

CCC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 14/20 0.54
MMP9 P14780 1/20 0.49
SLC15A1 P46059 1/20 0.49
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
KYNU Q16719 1/20 0.46
CTSK P43235 2/20 0.46

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
SCHEMBL12232414 1.00 CASP1 (0.54) CASP1MMP9SLC15A1ALDH1A1ALOX15
SCHEMBL19364747 0.90 CASP1 (0.52) CASP1MMP9SLC15A1ALDH1A1ALOX15
SCHEMBL21057596 0.88 CASP1 (0.59) CASP1CTSK
SCHEMBL755795 0.88 MMP9 (0.52) CASP1MMP9SLC15A1ALDH1A1ALOX15
SCHEMBL25491977 0.88 MMP9 (0.52) CASP1MMP9ALDH1A1ALOX15KYNU
SCHEMBL15996601 0.86 ALDH1A1 (0.55) CASP1MMP9SLC15A1ALDH1A1ALOX15
SCHEMBL890103 0.86 ALDH1A1 (0.55) CASP1MMP9SLC15A1ALDH1A1ALOX15
SCHEMBL8906664 0.84 MMP9 (0.52) CASP1MMP9SLC15A1ALDH1A1ALOX15
SCHEMBL21057770 0.84 CASP1 (0.69) CASP1
SCHEMBL13132237 0.83 KLK7 (0.49) CASP1MMP9ALDH1A1ALOX15KYNU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211928-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-03 US disclosed
US-8143414-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20110130433-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-06-02 US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 US disclosed
US-20100249190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 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 (3 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-20100249190-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CASP1 3668/4885MMP9 4471/4885SLC15A1 3581/4885
US-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CASP1 3668/4885MMP9 4471/4885SLC15A1 3581/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CASP1 3824/4885MMP9 4419/4885SLC15A1 3713/4885

“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.