SCHEMBL20132771

SCHEMBL20132771

CC(C)[C@@H]1COC(=O)N1C(=O)[C@H](N)Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.48
DPP4 P27487 3/20 0.46
FAP Q12884 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
STAT3 P40763 1/20 0.43
AKT1 P31749 7/20 0.40
IDH1 O75874 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL18174223 0.88 IL6ST (0.50) IL6STSTAT3IDH1
SCHEMBL18174256 0.88 IL6ST (0.50) IL6STSTAT3IDH1
SCHEMBL20132809 0.88 IL6ST (0.50) IL6STSTAT3IDH1
SCHEMBL18174279 0.88 IL6ST (0.50) IL6STSTAT3IDH1
SCHEMBL20132776 0.88 IL6ST (0.50) IL6STSTAT3IDH1
SCHEMBL20132818 0.86 IL6ST (0.45) IL6STSTAT3AKT1IDH1
SCHEMBL4767695 0.81 IL6ST (0.52) IL6STSTAT3IDH1
SCHEMBL4770816 0.81 IL6ST (0.52) IL6STSTAT3IDH1
SCHEMBL4768353 0.79 IL6ST (0.50) IL6STSTAT3IDH1
SCHEMBL18174212 0.79 IL6ST (0.45) IL6STSTAT3IDH1

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-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 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 (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-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES EP300, HDAC3, HDAC1 IL6ST 374/4885DPP4 2969/4885FAP 2124/4885

“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.