SCHEMBL418802

SCHEMBL418802

CCC[C@H](C)C(O)C(F)(F)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.36
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 3/20 0.31
ALDH1A1 P00352 3/20 0.31
POLB P06746 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31
THRB P10828 1/20 0.31
METAP1 P53582 1/20 0.31
HIF1A Q16665 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTT P42858 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL17898134 0.82 MMP8 (0.40) MMP8MEN1KMT2APKMKDM4E
SCHEMBL12482713 0.80 MMP8 (0.35) MMP8MEN1KMT2APKMKDM4E
SCHEMBL16492775 0.79 MMP8 (0.41) MMP8MEN1KMT2APKMKDM4E
SCHEMBL418835 0.78 METAP1 (0.34) MAPTNPSR1METAP1
SCHEMBL18681535 0.77 ALOX15 (0.37) MMP8MEN1KMT2APKMKDM4E
SCHEMBL954289 0.75 MMP8 (0.43) MMP8MEN1KMT2APKMKDM4E
SCHEMBL14504422 0.75 MMP8 (0.43) MMP8MEN1KMT2APKMKDM4E
SCHEMBL10017426 0.75 PKM (0.37) MMP8MEN1KMT2APKMKDM4E
SCHEMBL13815187 0.74 ALOX15 (0.34) MMP8MEN1KMT2APKMKDM4E
SCHEMBL18681534 0.73 MMP8 (0.41) MMP8PKMKDM4EMAPTALDH1A1

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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 US disclosed
US-20120064034-A1 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-15 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD MMP8 742/4885MEN1 3086/4885KMT2A 3611/4885
US-20120064034-A1 Peptidomimetic protease inhibitors CTSC, PREP, PEPD MMP8 742/4885MEN1 3086/4885KMT2A 3611/4885
US-20120282219-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PEPD, PREP MMP8 251/4885MEN1 3270/4885KMT2A 3519/4885

“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.