SCHEMBL29856376

SCHEMBL29856376

CC(C)(C)OC(=O)NCCCCCCOc1cccc(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.56
CA1 P00915 7/20 0.56
CA2 P00918 7/20 0.56
CA9 Q16790 7/20 0.56
TDP1 Q9NUW8 1/20 0.47
EGFR P00533 2/20 0.45
ITK Q08881 2/20 0.45
SUCNR1 Q9BXA5 5/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PDK2 Q15119 1/20 0.44

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
SCHEMBL20100194 1.00 CA12 (0.56) CA12CA1CA2CA9TDP1
SCHEMBL21160682 0.95 CA12 (0.54) CA12CA1CA2CA9EGFR
SCHEMBL8705236 0.92 CA12 (0.53) CA12CA1CA2CA9TDP1
SCHEMBL17687916 0.89 CA12 (0.50) CA12CA1CA2CA9EGFR
SCHEMBL24142775 0.87 CA12 (0.56) CA12CA1CA2CA9TDP1
SCHEMBL17687929 0.85 CA12 (0.49) CA12CA1CA2CA9EGFR
SCHEMBL463829 0.83 CA12 (0.61) CA12CA1CA2CA9TDP1
SCHEMBL30448576 0.83 CA12 (0.61) CA12CA1CA2CA9TDP1
SCHEMBL25718690 0.83 CA12 (0.61) CA12CA1CA2CA9TDP1
SCHEMBL31192622 0.83 CA12 (0.55) CA12CA1CA2CA9TDP1

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-20240124419-A1 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-04-18 US disclosed
EP-4288416-A2 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF The Regents Of The University Of Michigan (US) 2023-12-13 EP disclosed
EP-4144738-A1 COELENTERAZINE ANALOGUES TETHERED TO ENERGY ACCEPTORS Promega Corporation (US) 2023-03-08 EP disclosed
WO-2022169834-A2 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-08-11 WO disclosed
EP-3535270-B1 COELENTERAZINE ANALOGUES TETHERED TO ENERGY ACCEPTORS PROMEGA CORP (US) 2022-07-27 EP 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 (1 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-20240124419-A1 SMALL MOLECULE INHIBITORS OF GRP78 AND USES THEREOF HSPA5, HSPA2, PSMG3 CA12 2563/4885CA1 3906/4885CA2 2682/4885

“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.