SCHEMBL6447767

SCHEMBL6447767

CS(=O)(=O)OCCC#CC1CCN(C(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.41
MGLL Q99685 2/20 0.40
FAAH O00519 1/20 0.40
NPY2R P49146 4/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPA1 O75762 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6450860 0.89 GAA (0.41) LSSMGLLFAAHNPY2RGAA
SCHEMBL6450196 0.86 MGLL (0.47) LSSMGLLMEN1ALDH1A1LMNA
SCHEMBL6449957 0.81 LSS (0.47) LSSMGLLGAAMEN1ALDH1A1
SCHEMBL6448135 0.81 LSS (0.46) LSSMGLLGAAMEN1ALDH1A1
SCHEMBL6447566 0.78 LSS (0.61) LSSMGLLNPY2RGAATRPA1
SCHEMBL7147952 0.78 FAAH (0.41) MGLLFAAHNPY2RGAAALDH1A1
SCHEMBL6447937 0.77 LSS (0.51) LSSMGLLNPY2RGAAMEN1
SCHEMBL6449189 0.77 LSS (0.70) LSSMGLLNPY2RGAAMEN1
SCHEMBL6450779 0.77 LSS (0.61) LSSMGLLNPY2RGAATRPA1
SCHEMBL6450758 0.77 GPR119 (0.43) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6964974-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-11-15 US disclosed
US-20020068753-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. 2002-06-06 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-20020068753-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885MGLL 691/4885FAAH 2109/4885

“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.