SCHEMBL20132818

SCHEMBL20132818

CC(C)[C@@H]1COC(=O)N1C(=O)[C@H](N)Cc1ccc(Cl)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 5/20 0.45
AKT1 P31749 4/20 0.43
IDH1 O75874 9/20 0.40
STAT3 P40763 1/20 0.39
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL20132820 0.89 IL6ST (0.46) IL6STAKT1IDH1STAT3
SCHEMBL20132807 0.89 IL6ST (0.46) IL6STAKT1IDH1STAT3
SCHEMBL18174284 0.89 IL6ST (0.46) IL6STAKT1IDH1STAT3
SCHEMBL18174273 0.89 IL6ST (0.46) IL6STAKT1IDH1STAT3
SCHEMBL18174271 0.89 IL6ST (0.46) IL6STAKT1IDH1STAT3
SCHEMBL20132771 0.86 IL6ST (0.48) IL6STAKT1IDH1STAT3
SCHEMBL20132774 0.84 IDH1 (0.43) IL6STIDH1
SCHEMBL18174213 0.81 IL6ST (0.41) IL6STIDH1STAT3
SCHEMBL18174211 0.81 IL6ST (0.41) IL6STIDH1STAT3
SCHEMBL18174214 0.81 IL6ST (0.41) IL6STIDH1STAT3

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 374/4885AKT1 1440/4885IDH1 82/4885

“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.