SCHEMBL4805299

SCHEMBL4805299

CCN(C/C=C/C1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)CCO

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 9/20 0.66
HTR2A P28223 6/20 0.48
HTR2C P28335 5/20 0.48
TBXA2R P21731 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ESR2 Q92731 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
TRPV4 Q9HBA0 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
SCHEMBL4805304 1.00 LSS (0.66) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4805313 1.00 LSS (0.66) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4805319 1.00 LSS (0.66) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL6018328 0.88 LSS (0.55) LSSHTR2AHTR2CTRPV4
SCHEMBL6018334 0.88 LSS (0.55) LSSHTR2AHTR2CTRPV4
SCHEMBL6018329 0.88 LSS (0.55) LSSHTR2AHTR2CTRPV4
SCHEMBL4804171 0.84 HTR2A (0.57) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4804164 0.84 HTR2A (0.57) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4804178 0.84 HTR2A (0.57) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4804156 0.84 HTR2A (0.57) LSSHTR2AHTR2CTBXA2RPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP claimed
US-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 US claimed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 US claimed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 US claimed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US claimed
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
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 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 (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 LSS 2/4885HTR2A 3743/4885HTR2C 3086/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885HTR2A 3743/4885HTR2C 3086/4885

“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.