SCHEMBL469434

SCHEMBL469434

CCOC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
HTR2A P28223 1/20 0.55
PMP22 Q01453 1/20 0.55
PPARA Q07869 1/20 0.55
POLB P06746 2/20 0.51
CNR2 P34972 7/20 0.47
OPRK1 P41145 1/20 0.47
PHGDH O43175 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
CNR1 P21554 1/20 0.44
APP P05067 1/20 0.43

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
SCHEMBL1463596 0.87 KMT2A (0.48) CYP3A4TSHRPOLBPHGDHMEN1
SCHEMBL12102151 0.86 KMT2A (0.54) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL2225281 0.86 PHGDH (0.43) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL1464318 0.85 HSD11B1 (0.51) TSHRHTR2APOLBMEN1KMT2A
SCHEMBL766844 0.84 NOD2 (0.44) CYP1A2TSHRCNR2PHGDHMEN1
SCHEMBL1464761 0.84 THRB (0.49) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL1464174 0.83 MMP13 (0.50) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL1464437 0.83 MMP1 (0.45) TSHRPHGDHMEN1KMT2AHTT
SCHEMBL349736 0.82 CNR2 (0.52) CNR2PHGDHCNR1
SCHEMBL1464602 0.82 CNR2 (0.50) TSHRPOLBCNR2PHGDHMEN1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed
US-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed
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
US-8362039-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8362039-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-29 US disclosed
US-8349871-B2 Therapeutic uses of compounds which selectively modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
WO-2010036630-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 US disclosed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 US disclosed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 US disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 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 (4 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-20080039464-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ABCB11 2683/4885CYP1A2 641/4885CYP3A4 1181/4885
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ABCB11 2428/4885CYP1A2 629/4885CYP3A4 1216/4885
US-20130184315-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR CNR2, CNR1, GPR52 ABCB11 1969/4885CYP1A2 965/4885CYP3A4 1422/4885
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor CNR2, CNR1, OPRL1 ABCB11 2588/4885CYP1A2 638/4885CYP3A4 1178/4885

“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.