SCHEMBL4806855

SCHEMBL4806855

Cc1ccc(S(=O)(=O)OC[C@H]2CC[C@H](NCC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
STAT3 P40763 1/20 0.37
MMP13 P45452 1/20 0.36
ACACB O00763 1/20 0.35
ENPP3 O14638 2/20 0.35
ENPP1 P22413 2/20 0.35
ENPP2 Q13822 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.34
NR1D1 P20393 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL942085 0.84 DRD2 (0.46) KMT2AMEN1ALDH1A1CYP2C9HPGD
SCHEMBL942084 0.84 DRD2 (0.46) KMT2AMEN1ALDH1A1CYP2C9HPGD
SCHEMBL9885083 0.84 DRD2 (0.46) KMT2AMEN1ALDH1A1CYP2C9HPGD
SCHEMBL19812392 0.83 PTGIR (0.40) KMT2AMEN1ALDH1A1CYP2C9STAT3
SCHEMBL2374928 0.83 PTGIR (0.40) KMT2AMEN1ALDH1A1CYP2C9STAT3
SCHEMBL2374926 0.83 PTGIR (0.40) KMT2AMEN1ALDH1A1CYP2C9STAT3
SCHEMBL25318818 0.80 DRD2 (0.44) KMT2AMEN1ALDH1A1CYP2C9HPGD
SCHEMBL965092 0.80 DRD2 (0.44) KMT2AMEN1ALDH1A1CYP2C9HPGD
SCHEMBL6642035 0.80 DRD2 (0.44) KMT2AMEN1ALDH1A1CYP2C9HPGD
SCHEMBL942082 0.80 ACACB (0.55) KMT2AMEN1ALDH1A1CYP2C9ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed
US-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 US disclosed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 US disclosed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 US disclosed
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 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 (2 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-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 KMT2A 3998/4885MEN1 429/4885ALDH1A1 2260/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 KMT2A 3998/4885MEN1 429/4885ALDH1A1 2260/4885

“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.