SCHEMBL2681283

SCHEMBL2681283

CCC[C@@H](N(NC(=O)c1c(F)ccc(C)c1F)C(=O)c1cccc(C)c1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 3/20 0.42
▸ TAS1R1 Q7RTX1 3/20 0.42
▸ HPGD P15428 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ABCB1 P08183 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KCNK3 O14649 1/20 0.34
▸ KCNK9 Q9NPC2 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KAT6A Q92794 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL2682481 0.84 TRPA1 (0.42) TAS1R3TAS1R1ABCB1CYP3A4TRPA1
SCHEMBL2820244 0.84 TRPA1 (0.42) TAS1R3TAS1R1ABCB1CYP3A4TRPA1
SCHEMBL2682908 0.84 TRPA1 (0.42) TAS1R3TAS1R1ABCB1CYP3A4TRPA1
SCHEMBL27797503 0.83 ABCB1 (0.52) TAS1R3TAS1R1HPGDTDP1ABCB1
SCHEMBL2684130 0.81 ABCB1 (0.58) TAS1R3TAS1R1HPGDTDP1ABCB1
SCHEMBL29786241 0.81 ABCB1 (0.58) TAS1R3TAS1R1HPGDTDP1ABCB1
SCHEMBL14763458 0.81 ABCB1 (0.58) TAS1R3TAS1R1HPGDTDP1ABCB1
SCHEMBL2684282 0.81 ABCB1 (0.58) TAS1R3TAS1R1HPGDTDP1ABCB1
SCHEMBL10721384 0.79 ABCB1 (0.61) ABCB1CYP3A4CYP2C9
SCHEMBL27818648 0.77 ABCB1 (0.43) TAS1R3TAS1R1HPGDABCB1SMN1; SMN2

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-20120116090-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex INTREXON CORPORATION (US) 2012-05-10 — — US claimed

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-20120116090-A1 Chiral Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes via an Ecdysone Receptor Complex NR2E3, CRYZ, TCF12 TAS1R3 3889/4885TAS1R1 4166/4885HPGD 2031/4885

“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.

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