SCHEMBL4186041

SCHEMBL4186041

CCN(CC)S(=O)(=O)c1ccc(CC(C)(C)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.54
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 2/20 0.48
ABCC9 O60706 1/20 0.48
ABCC8 Q09428 1/20 0.48
KCNJ11 Q14654 1/20 0.48
KCNJ8 Q15842 1/20 0.48
TAS2R14 Q9NYV8 2/20 0.47
HPGD P15428 1/20 0.45
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
ABCC2 Q92887 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
UGT1A7 Q9HAW7 1/20 0.44

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
SCHEMBL5452529 0.78 LMNA (0.59) HTTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL5024746 0.75 LMNA (0.70) HTTLMNASMN1; SMN2RAB9ANPC1
Etebenecid SCHEMBL1643610 0.74 SMN1; SMN2 (0.75) HTTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL13543237 0.73 HTT (0.66) HTTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL394849 0.73 LMNA (0.53) HTTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL27925093 0.73 ESR1 (0.56) LMNASMN1; SMN2ALDH1A1HPGDSLC22A12
SCHEMBL2468075 0.72 LMNA (0.66) HTTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL14349177 0.72 HTT (0.66) HTTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL13365527 0.72 LMNA (0.66) HTTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL5018967 0.72 LMNA (0.66) HTTLMNASMN1; SMN2RAB9ANPC1

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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US claimed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 WO claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA HTT 4766/4885LMNA 3833/4885SMN1; SMN2 4862/4885

“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.