SCHEMBL1463596

SCHEMBL1463596

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
GAA P10253 1/20 0.48
PHGDH O43175 1/20 0.46
LMNA P02545 5/20 0.46
ALDH1A1 P00352 7/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL2225281 0.89 PHGDH (0.43) KMT2AGAAPHGDHALDH1A1SMN1; SMN2
SCHEMBL12102151 0.89 KMT2A (0.54) KMT2AGAAPHGDHALDH1A1SMN1; SMN2
SCHEMBL1464318 0.88 HSD11B1 (0.51) KMT2AGAALMNAALDH1A1MEN1
SCHEMBL469434 0.87 ABCB11 (0.55) KMT2AGAAPHGDHMEN1MAPT
SCHEMBL766844 0.87 NOD2 (0.44) KMT2APHGDHLMNAALDH1A1MEN1
SCHEMBL1464174 0.86 MMP13 (0.50) GAALMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL1464437 0.86 MMP1 (0.45) KMT2AGAAPHGDHMEN1TSHR
SCHEMBL28217312 0.85 ALDH1A1 (0.47) KMT2AGAALMNAALDH1A1MEN1
SCHEMBL1464602 0.84 CNR2 (0.50) KMT2APHGDHMEN1MAPTNPSR1
SCHEMBL28059679 0.83 KMT2A (0.48) KMT2AGAALMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
US-8299111-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP disclosed
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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 (5 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 KMT2A 3627/4885GAA 4570/4885PHGDH 3691/4885
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 KMT2A 3675/4885GAA 4581/4885PHGDH 3555/4885
US-20110312932-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 KMT2A 3917/4885GAA 4011/4885PHGDH 3294/4885
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor CNR2, CNR1, OPRL1 KMT2A 3720/4885GAA 4518/4885PHGDH 3505/4885
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 KMT2A 3917/4885GAA 4011/4885PHGDH 3294/4885

“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.