SCHEMBL6019974

SCHEMBL6019974

CN(CCC1CCC(COS(C)(=O)=O)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 9/20 0.49
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR7 P34969 1/20 0.38
SLC6A9 P48067 1/20 0.38
PSEN1 P49768 3/20 0.37
PSEN2 P49810 3/20 0.37
APH1B Q8WW43 3/20 0.37
NCSTN Q92542 3/20 0.37
APH1A Q96BI3 3/20 0.37
PSENEN Q9NZ42 3/20 0.37
TRPV4 Q9HBA0 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNH2 Q12809 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL6019977 1.00 LSS (0.49) LSSHTR2AHTR2CHTR7SLC6A9
SCHEMBL6019350 0.89 HTR2C (0.45) LSSHTR2AHTR2CHTR7SLC6A9
SCHEMBL6019343 0.89 HTR2C (0.45) LSSHTR2AHTR2CHTR7SLC6A9
SCHEMBL6018989 0.86 LMNA (0.40) LSSHTR2AHTR2CPSEN1PSEN2
SCHEMBL6018995 0.86 LMNA (0.40) LSSHTR2AHTR2CPSEN1PSEN2
SCHEMBL6019166 0.83 LSS (0.53) LSSHTR2AHTR2CHTR7PSEN1
SCHEMBL6019171 0.83 LSS (0.53) LSSHTR2AHTR2CHTR7PSEN1
SCHEMBL6019311 0.81 LSS (0.47) LSSHTR2AHTR2CHTR7PSEN1
SCHEMBL6019314 0.81 LSS (0.47) LSSHTR2AHTR2CHTR7PSEN1
SCHEMBL6019074 0.81 LSS (0.54) LSSHTR2AHTR2CHTR7TRPV4

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 1/4885HTR2A 3071/4885HTR2C 3745/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LSS 2/4885HTR2A 3269/4885HTR2C 3643/4885

“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.