SCHEMBL19083995

SCHEMBL19083995

COC(=O)C(CC(C)C)NC(=O)c1ccc(OC2CCNCC2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 12/20 0.62
TAS1R1 Q7RTX1 12/20 0.62
BCL2L1 Q07817 3/20 0.53
TOP2A P11388 1/20 0.49
PDE4A P27815 2/20 0.49
PDE4B Q07343 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49

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
SCHEMBL7424626 0.87 PDE4A (0.66) TAS1R3TAS1R1BCL2L1PDE4APDE4B
SCHEMBL8323597 0.87 PDE4A (0.66) TAS1R3TAS1R1BCL2L1PDE4APDE4B
SCHEMBL19083996 0.85 TAS1R3 (0.64) TAS1R3TAS1R1TOP2APDE4APDE4B
SCHEMBL19083821 0.83 TAS1R3 (0.53) TAS1R3TAS1R1TOP2APDE4APDE4B
SCHEMBL700709 0.77 TAS1R3 (1.00) TAS1R3TAS1R1BCL2L1
SCHEMBL703468 0.77 TAS1R3 (1.00) TAS1R3TAS1R1BCL2L1
SCHEMBL703467 0.77 TAS1R3 (1.00) TAS1R3TAS1R1BCL2L1
SCHEMBL700708 0.77 TAS1R3 (1.00) TAS1R3TAS1R1BCL2L1
SCHEMBL701392 0.76 TAS1R3 (0.76) TAS1R3TAS1R1BCL2L1
SCHEMBL702502 0.76 TAS1R3 (0.76) TAS1R3TAS1R1BCL2L1

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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 TAS1R3 2742/4885TAS1R1 2598/4885BCL2L1 2162/4885

“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.