SCHEMBL27196441

SCHEMBL27196441

O=C1CCC(N2C(=O)c3cccc(NC45CCC(C(=O)O)(CC4)CC5)c3C2=O)C(=O)N1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 18/20 0.66
CRBN Q96SW2 18/20 0.66
IKZF3 Q9UKT9 2/20 0.57
TNF P01375 1/20 0.57
IL1B P01584 1/20 0.57
TBXA2R P21731 1/20 0.57
IKZF1 Q13422 1/20 0.57
ALDH1A1 P00352 1/20 0.54
CHRM2 P08172 1/20 0.54
OPRM1 P35372 1/20 0.54
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL29856105 1.00 DDB1 (0.66) DDB1CRBNIKZF3TNFIL1B
SCHEMBL30566068 0.91 DDB1 (0.67) DDB1CRBNIKZF3TNFIL1B
SCHEMBL30566074 0.83 CRBN (0.66) DDB1CRBNIKZF3TNFIL1B
SCHEMBL25814066 0.83 CRBN (0.66) DDB1CRBNIKZF3TNFIL1B
SCHEMBL22291439 0.83 DDB1 (0.67) DDB1CRBNIKZF3TNFIL1B
SCHEMBL25814071 0.82 DDB1 (0.60) DDB1CRBNIKZF3TNFIL1B
SCHEMBL18546682 0.82 DDB1 (0.82) DDB1CRBNIKZF3TNFIL1B
SCHEMBL15559912 0.82 DDB1 (0.82) DDB1CRBNIKZF3TNFIL1B
SCHEMBL16569284 0.82 DDB1 (0.82) DDB1CRBNIKZF3TNFIL1B
SCHEMBL24926192 0.81 DDB1 (0.61) DDB1CRBNIKZF3TNFIL1B

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 1 patent. 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

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 DDB1 361/4885CRBN 1098/4885IKZF3 899/4885

“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.