SCHEMBL4805166

SCHEMBL4805166

CCN([C@H]1CC[C@H](OCCCCBr)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 8/20 0.46
NPSR1 Q6W5P4 1/20 0.43
ESR2 Q92731 5/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
TSHR P16473 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
CACNA1B Q00975 1/20 0.37
ESR1 P03372 1/20 0.36

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
SCHEMBL4805160 1.00 LSS (0.46) LSSNPSR1ESR2HTR2AHTR2C
SCHEMBL4806346 0.91 LSS (0.58) LSSNPSR1ESR2HTR2AHTR2C
SCHEMBL4806343 0.91 LSS (0.58) LSSNPSR1ESR2HTR2AHTR2C
SCHEMBL4803827 0.88 LSS (0.50) LSSNPSR1ESR2HTR2AHTR2C
SCHEMBL4803820 0.88 LSS (0.50) LSSNPSR1ESR2HTR2AHTR2C
SCHEMBL4799662 0.87 LSS (0.57) LSSNPSR1ESR2HTR2AHTR2C
SCHEMBL4799673 0.87 LSS (0.57) LSSNPSR1ESR2HTR2AHTR2C
SCHEMBL4804306 0.87 LSS (0.55) LSSHTR2AHTR2C
SCHEMBL4804311 0.87 LSS (0.55) LSSHTR2AHTR2C
SCHEMBL4798370 0.86 LSS (0.51) LSSNPSR1ESR2HTR2AHTR2C

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 5 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
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 2/4885NPSR1 3914/4885ESR2 701/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885NPSR1 3914/4885ESR2 701/4885

“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.