Sugi Predict

Sugi Predict / Compounds / SCHEMBL6018679

SCHEMBL6018679

SCHEMBL6018679

CN(C[C@H]1CC[C@H](COS(C)(=O)=O)CC1)C(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 6/20 0.46
▸ LMNA P02545 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ PTGIR P43119 2/20 0.36
▸ ATF4 P18848 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ACHE P22303 3/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ PTGER2 P43116 1/20 0.35
▸ PTGDR Q13258 1/20 0.35

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
SCHEMBL6018678 1.00 LSS (0.46) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6019325 0.89 LSS (0.59) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6020125 0.89 LSS (0.49) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6019328 0.89 LSS (0.59) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6020121 0.89 LSS (0.49) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6019198 0.87 LSS (0.48) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6019193 0.87 LSS (0.48) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6019087 0.87 LSS (0.48) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6019091 0.87 LSS (0.48) LSSLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL6019234 0.84 LSS (0.46) LSSLMNAL3MBTL1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456171-B1 SUBSTITUTED CYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-12-20 — — EP disclosed
US-20050272774-A1 Substituted cyclohexane derivatives ACKERMANN JEAN 2005-12-08 — — US disclosed
US-6953806-B2 Substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. (US) 2005-10-11 — — US disclosed
EP-1456171-A1 SUBSTITUTED CYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 — — EP disclosed
US-20030199550-A1 Substituted cyclohexane derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-10-23 — — US disclosed
WO-2003053919-A1 SUBSTITUTED CYCLOHEXANE DERIVATIVES F. HOFFMANN-LA-ROCHE AG (CH) 2003-07-03 — — 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-20050272774-A1 Substituted cyclohexane derivatives LSS, CYP51A1, CYP8B1 LSS 1/4885LMNA 280/4885L3MBTL1 1311/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885LMNA 485/4885L3MBTL1 1655/4885

“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.