SCHEMBL5338059

SCHEMBL5338059

CCC(C)S(=O)(=O)Nc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BACE1 P56817 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
POLB P06746 2/20 0.43
GPR119 Q8TDV5 1/20 0.42
STS P08842 1/20 0.42
NAMPT P43490 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ACHE P22303 1/20 0.42
TGFBR1 P36897 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 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
SCHEMBL5334602 0.90 BACE1 (0.46) GLATSHRALDH1A1NPSR1BACE1
SCHEMBL5336031 0.85 STS (0.48) ALDH1A1BACE1SMN1; SMN2GAACKS1B
SCHEMBL4513123 0.83 NPY5R (0.48) ALDH1A1BACE1SMN1; SMN2CKS1BSKP1
SCHEMBL5338065 0.81 STS (0.44) GLATSHRALDH1A1NPSR1BACE1
SCHEMBL5336255 0.80 MCOLN3 (0.62) GAASTSMEN1KMT2ATGFBR1
SCHEMBL14387753 0.80 BACE1 (0.46) ALDH1A1BACE1CKS1BSKP1SKP2
SCHEMBL5340137 0.80 STS (0.61) TSHRALDH1A1NPSR1BACE1GAA
SCHEMBL8985828 0.79 ACHE (0.50) GLATSHRALDH1A1BACE1SMN1; SMN2
SCHEMBL23379634 0.79 KMT2A (0.54) ALDH1A1GAAGPR119STSMEN1
SCHEMBL23379599 0.79 MCOLN3 (0.53) TSHRALDH1A1GAAPOLBSTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 US disclosed
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO 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-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R GLA 3012/4885TSHR 156/4885ALDH1A1 1055/4885

“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.