SCHEMBL3222189

SCHEMBL3222189

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
FOLH1 Q04609 6/20 0.36
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
SCN9A Q15858 1/20 0.31
LAP3 P28838 2/20 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
SCHEMBL3222193 1.00 POLB (0.37) POLBFOLH1MMP1MMP2MMP8
SCHEMBL7308675 0.81 FOLH1 (0.53) POLBFOLH1SCN9ALAP3
SCHEMBL3213278 0.81 POLB (0.33) POLBSCN9A
SCHEMBL3213270 0.81 POLB (0.33) POLBSCN9A
SCHEMBL4735696 0.77 POLB (0.33) POLB
SCHEMBL27858273 0.77 FOLH1 (0.36) POLBFOLH1SCN9ALAP3
SCHEMBL28262175 0.77 FOLH1 (0.36) POLBFOLH1SCN9ALAP3
SCHEMBL29120907 0.76 FOLH1 (0.35) POLBFOLH1SCN9A
SCHEMBL24939389 0.73 CA1 (0.35) POLBFOLH1MMP1
SCHEMBL3216743 0.73 POLB (0.33) POLB

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-20130303547-A1 HCV Protease Inhibitors and Uses Thereof ABBVIE INC (US) 2013-11-14 US disclosed
US-8497275-B2 HCV protease inhibitors and uses thereof ABBVIE INC. (US) 2013-07-30 US disclosed
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-02-04 US disclosed
WO-2008074035-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-19 WO 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-20130303547-A1 HCV Protease Inhibitors and Uses Thereof SERPINB1, PEPD, PREP POLB 2001/4885FOLH1 828/4885MMP1 251/4885
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP POLB 2001/4885FOLH1 828/4885MMP1 251/4885

“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.