SCHEMBL23905950

SCHEMBL23905950

CC(C)c1c(O[C@H](c2ccc(C(N)=O)cc2)c2cccc(C#N)c2)ccc2c1OCCC2=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
VNN1 O95497 2/20 0.36
ADRA1D P25100 4/20 0.34
ADRA1A P35348 2/20 0.34
TNF P01375 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA1B P35368 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
MAOB P27338 2/20 0.30
NAMPT P43490 1/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
MAOA P21397 1/20 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
SCHEMBL30251163 1.00 GRM5 (0.38) GRM5VNN1ADRA1DADRA1ATNF
SCHEMBL30251244 1.00 GRM5 (0.38) GRM5VNN1ADRA1DADRA1ATNF
SCHEMBL30251162 1.00 GRM5 (0.38) GRM5VNN1ADRA1DADRA1ATNF
SCHEMBL23882920 1.00 GRM5 (0.38) GRM5VNN1ADRA1DADRA1ATNF
SCHEMBL26159492 1.00 GRM5 (0.38) GRM5VNN1ADRA1DADRA1ATNF
SCHEMBL23882869 0.90 GRM5 (0.39) GRM5VNN1ADRA1DADRA1ATNF
SCHEMBL23905970 0.90 GRM5 (0.39) GRM5VNN1ADRA1DADRA1ATNF
SCHEMBL30251017 0.90 GRM5 (0.39) GRM5VNN1ADRA1DADRA1ATNF
SCHEMBL26159421 0.90 GRM5 (0.39) GRM5VNN1ADRA1DADRA1ATNF
SCHEMBL23906321 0.90 GRM5 (0.39) GRM5ADRA1DADRA1ATNFADRA2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
WO-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 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 (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-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR HLA-DRB1, CD74, HLA-C GRM5 2303/4885VNN1 2710/4885ADRA1D 1234/4885

“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.