SCHEMBL19083718

SCHEMBL19083718

COC(=O)C(CC(C)C)NC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 13/20 0.51
TAS1R1 Q7RTX1 13/20 0.51
BCL2L1 Q07817 3/20 0.45
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL19084008 0.79 L3MBTL1 (0.51) ALDH1A1
SCHEMBL19075730 0.78 NPC1 (0.48) ALDH1A1
SCHEMBL701391 0.78 TAS1R3 (0.76) TAS1R3TAS1R1BCL2L1GRNSORT1
SCHEMBL701392 0.78 TAS1R3 (0.76) TAS1R3TAS1R1BCL2L1GRNSORT1
SCHEMBL7424626 0.76 PDE4A (0.66) TAS1R3TAS1R1BCL2L1
SCHEMBL8323597 0.76 PDE4A (0.66) TAS1R3TAS1R1BCL2L1
SCHEMBL19083819 0.75 L3MBTL1 (0.68) ALDH1A1POLB
SCHEMBL19083995 0.74 TAS1R3 (0.62) TAS1R3TAS1R1BCL2L1
SCHEMBL13091305 0.73 TAS1R3 (0.62) TAS1R3TAS1R1GRNSORT1
SCHEMBL878985 0.72 TAS1R3 (0.61) TAS1R3TAS1R1GRNSORT1

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.