SCHEMBL469283

SCHEMBL469283

CC(C)(CS(=O)(=O)CCCC(F)(F)F)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.38
ACLY P53396 1/20 0.34
FAAH O00519 3/20 0.34
CES2 O00748 2/20 0.34
NOS2 P35228 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
ELANE P08246 1/20 0.33
ATR Q13535 1/20 0.31

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
SCHEMBL469369 0.81 CES1 (0.35) CES1FAAHCES2CNR2CNR1
SCHEMBL15121172 0.79 CES1 (0.39) CES1FAAHCES2CNR2CNR1
SCHEMBL9322350 0.76 TSHR (0.38) ACLYNOS2ACACBACACAELANE
SCHEMBL15120361 0.76 CES1 (0.37) CES1FAAHCES2
SCHEMBL25045697 0.74 ACLY (0.57) ACLYACACBACACA
SCHEMBL469314 0.74 CNR2 (0.45) CNR2CNR1
SCHEMBL17226862 0.74 CES1 (0.40) CES1FAAHCES2
SCHEMBL309951 0.73 CES1 (0.33) CES1FAAHCES2
SCHEMBL16795968 0.72 ELANE (0.36) ACLYNOS2ACACBACACAELANE
SCHEMBL14814712 0.72 CES1 (0.38) CES1FAAHCES2CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595959-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-11-04 EP disclosed
US-8846936-B2 Sulfonyl compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-30 US disclosed
US-8846936-B2 Sulfonyl compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-30 US disclosed
US-20130184315-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
US-20130184315-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
WO-2012012307-A9 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-15 WO disclosed
WO-2012012307-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-26 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 (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-20130184315-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR CNR2, CNR1, GPR52 CES1 1080/4885ACLY 2347/4885FAAH 97/4885

“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.