SCHEMBL33527880

SCHEMBL33527880

COc1nc(-c2cc(C(F)(F)F)nn2CC(C)(C)NC(=O)[C@@H](Cc2cnn(C)c2)NC(=O)OC(C)(C)C)ns1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.33
ITGB7 P26010 2/20 0.33
AKT1 P31749 1/20 0.32
KCNT1 Q5JUK3 1/20 0.31
BRD4 O60885 1/20 0.31
CTSS P25774 3/20 0.30
CTSK P43235 3/20 0.30
SCN9A Q15858 3/20 0.30
CTSB P07858 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
SCHEMBL31752087 0.87 AKT1 (0.33) ITGA4ITGB7AKT1KCNT1CTSS
Trifluoroacetic Acid SCHEMBL33525935 0.86 LOXL2 (0.31) KCNT1
SCHEMBL34466727 0.83 ITGA4 (0.33) ITGA4ITGB7AKT1KCNT1CTSS
SCHEMBL34466946 0.83 CTSL (0.36) ITGA4ITGB7AKT1KCNT1CTSS
SCHEMBL31752402 0.82 CTSS (0.37) ITGA4ITGB7AKT1CTSSCTSK
SCHEMBL33526439 0.82 PTGS2 (0.34) BRD4
SCHEMBL31753528 0.82 CTSS (0.32) ITGA4ITGB7AKT1CTSSCTSK
SCHEMBL34467066 0.82 BCL2 (0.32) ITGA4ITGB7AKT1CTSSCTSK
SCHEMBL34466764 0.82 CTSS (0.33) ITGA4ITGB7AKT1CTSSCTSK
SCHEMBL31753247 0.81 CTSS (0.36) ITGA4ITGB7AKT1CTSSCTSK

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-20260091048-A1 GIP RECEPTOR AGONIST COMPOUNDS LILLY CO ELI (US) 2026-04-02 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-20260091048-A1 GIP RECEPTOR AGONIST COMPOUNDS GIPR, GLP1R, GPR119 ITGA4 1929/4885ITGB7 1595/4885AKT1 3218/4885

“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.