SCHEMBL10175006

SCHEMBL10175006

CC(=O)C(C)(C)CC(C)(C)C(=O)NCCC=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.33
CA3 P07451 1/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL10172398 0.84 CNR1 (0.33) CNR1
SCHEMBL17539179 0.81 CA3 (0.38) CA3CA5ACA5B
SCHEMBL23073275 0.81 CNR1 (0.33) CNR1CA3CA5ACA5B
SCHEMBL18530841 0.79 KDM4C (0.40) CNR1
SCHEMBL2845918 0.77 POLB (0.42) CNR1CA3CA5ACA5B
SCHEMBL10172400 0.75 POLB (0.35) CNR1CA3CA5ACA5B
SCHEMBL18874574 0.75 RIPK1 (0.34)
SCHEMBL18530842 0.74 MEN1 (0.41) CA3CA5ACA5B
SCHEMBL26347887 0.71 EPHX2 (0.38)
SCHEMBL13156166 0.71 GAA (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9095623-B2 Terminally-functionalized conjugates and uses thereof SMARTCELLS, INC. (US) 2015-08-04 US disclosed
US-20140121159-A1 TERMINALLY–FUNCTIONALIZED CONJUGATES AND USES THEREOF SMARTCELLS, INC. (US) 2014-05-01 US disclosed
US-8623345-B2 Terminally-functionalized conjugates and uses thereof Smartcells (US) 2014-01-07 US disclosed
US-20120014908-A1 TERMINALLY-FUNCTIONALIZED CONJUGATES AND USES THEREOF SMARTCELLS, INC. 2012-01-19 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-20140121159-A1 TERMINALLY–FUNCTIONALIZED CONJUGATES AND USES THEREOF NPY1R, NTSR1, GRPR CNR1 571/4885CA3 1261/4885CA5A 322/4885
US-20120014908-A1 TERMINALLY-FUNCTIONALIZED CONJUGATES AND USES THEREOF NPY1R, NTSR1, GRPR CNR1 579/4885CA3 1079/4885CA5A 291/4885

“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.