SCHEMBL4730908

SCHEMBL4730908

CC(C)(C)[C@]1(C)CCCN1C(=O)CO

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
JAK3 P52333 2/20 0.31
LCK P06239 1/20 0.31

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
SCHEMBL16563025 0.81 DPP4 (0.31) DPP4
SCHEMBL4730369 0.81
SCHEMBL4730547 0.81 ALDH1A1 (0.38) JAK3
SCHEMBL4728395 0.79 CYP3A4 (0.32) JAK3
SCHEMBL1632220 0.79 FFAR3 (0.30)
SCHEMBL4729530 0.79 CYP3A4 (0.32) JAK3
SCHEMBL4730743 0.79 ALDH1A1 (0.36)
SCHEMBL4730373 0.77 HSD17B10 (0.46)
SCHEMBL16563024 0.77 MEN1 (0.32)
SCHEMBL4727344 0.75 POLB (0.38)

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-9260414-B2 Inhibitors of hepatitic C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-16 US disclosed
US-9260414-B2 Inhibitors of hepatitic C virus THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-16 US disclosed
US-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-12 US disclosed
US-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-03-12 US disclosed
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 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-20150071878-A1 NOVEL INHIBITORS OF HEPATITIC C VIRUS HAVCR2, SLC10A1, HDGF DPP4 405/4885JAK3 240/4885LCK 1139/4885
US-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, ZC3HAV1 DPP4 475/4885JAK3 136/4885LCK 1007/4885

“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.