SCHEMBL16368757

SCHEMBL16368757

CCCCCCC(N(NC(=O)c1ccccc1)C(=O)c1ccccc1)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.50
CTSG P08311 4/20 0.50
CTRB1 P17538 4/20 0.50
CMA1 P23946 4/20 0.50
NAAA Q02083 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13003142 1.00 PRSS1 (0.50) PRSS1CTSGCTRB1CMA1NAAA
SCHEMBL10147876 0.81 ABCB1 (0.48) PRSS1CTSGCTRB1CMA1POLB
SCHEMBL19946423 0.81 ABCB1 (0.48) PRSS1CTSGCTRB1CMA1POLB
SCHEMBL10147831 0.81 ABCB1 (0.48) PRSS1CTSGCTRB1CMA1POLB
SCHEMBL4629693 0.80 ABCB1 (0.58) CYP3A4
SCHEMBL165545 0.80 L3MBTL1 (0.48) PRSS1CTSGCTRB1CMA1NAAA
SCHEMBL13983605 0.77 ABCB1 (0.48) PRSS1CTSGCTRB1CMA1POLB
SCHEMBL4630345 0.77 ABCB1 (0.44) CYP3A4
SCHEMBL668626 0.75 ABCB1 (0.60) CYP3A4
SCHEMBL9877218 0.74 POLB (0.58) POLBCYP3A4CYP2C9TDP1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9272986-B2 Diacylhydrazine ligands for modulating the expression of exogenous genes in mammalian systems via an ecdysone receptor complex INTREXON CORPORATION (US) 2016-03-01 US disclosed
US-9272986-B2 Diacylhydrazine ligands for modulating the expression of exogenous genes in mammalian systems via an ecdysone receptor complex INTREXON CORPORATION (US) 2016-03-01 US disclosed
US-20150005256-A1 Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes in Mammalian Systems via an Ecdysone Receptor Complex INTREXON CORP (US) 2015-01-01 US disclosed
US-20150005256-A1 Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes in Mammalian Systems via an Ecdysone Receptor Complex INTREXON CORP (US) 2015-01-01 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-20150005256-A1 Diacylhydrazine Ligands for Modulating the Expression of Exogenous Genes in Mammalian Systems via an Ecdysone Receptor Complex NR2E3, NR2C2, NR5A2 PRSS1 2712/4885CTSG 4623/4885CTRB1 1531/4885

“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.