SCHEMBL19083996

SCHEMBL19083996

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.64
TAS1R1 Q7RTX1 6/20 0.64
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 1/20 0.46
UTS2R Q9UKP6 1/20 0.46
TOP2A P11388 1/20 0.46
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
GAA P10253 1/20 0.43
APOBEC3G Q9HC16 1/20 0.42

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
SCHEMBL19084001 0.86 TAS1R3 (0.61) TAS1R3TAS1R1L3MBTL1PDE4APDE4B
SCHEMBL20697830 0.86 TAS1R3 (0.61) TAS1R3TAS1R1L3MBTL1PDE4APDE4B
SCHEMBL19083995 0.85 TAS1R3 (0.62) TAS1R3TAS1R1TOP2APDE4APDE4B
SCHEMBL19083821 0.79 TAS1R3 (0.53) TAS1R3TAS1R1UTS2RTOP2APDE4A
Hydrochloric Acid SCHEMBL8368230 0.79 TAS1R3 (0.72) TAS1R3TAS1R1L3MBTL1HPGDFNTA
SCHEMBL4202902 0.78 TAS1R3 (1.00) TAS1R3TAS1R1L3MBTL1HPGDFNTA
SCHEMBL8368815 0.73 TAS1R3 (0.63) TAS1R3TAS1R1L3MBTL1HPGDFNTA
SCHEMBL13525007 0.73 L3MBTL1 (0.71) TAS1R3TAS1R1L3MBTL1HPGDFNTA
SCHEMBL23118386 0.72 KMT2A (0.54) TAS1R3TAS1R1PDE4APDE4BPDE4C
SCHEMBL7424626 0.72 PDE4A (0.66) TAS1R3TAS1R1PDE4APDE4BPDE4C

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 2598/4885L3MBTL1 3827/4885

“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.