SCHEMBL1465682

SCHEMBL1465682

CCOC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.75
HTT P42858 2/20 0.75
CYP3A4 P08684 2/20 0.75
CYP2D6 P10635 2/20 0.75
CYP2C9 P11712 2/20 0.75
CYP2C19 P33261 2/20 0.75
CYP1A2 P05177 1/20 0.75
NPSR1 Q6W5P4 1/20 0.75
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
ALDH1A1 P00352 2/20 0.70
LMNA P02545 2/20 0.67
GAA P10253 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
MAPT P10636 1/20 0.61
APP P05067 2/20 0.53
MMP1 P03956 1/20 0.51
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 0.51
ADAM17 P78536 1/20 0.51

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
SCHEMBL1463605 0.94 CYP3A4 (0.72) SMN1; SMN2HTTCYP3A4CYP2D6CYP2C9
SCHEMBL7411815 0.84 MMP9 (0.69) SMN1; SMN2HTTCYP3A4CYP2D6CYP2C9
SCHEMBL7405314 0.84 SMN1; SMN2 (0.76) SMN1; SMN2HTTCYP3A4CYP2D6CYP2C9
SCHEMBL1464562 0.82 CYP3A4 (0.54) SMN1; SMN2HTTCYP3A4CYP2D6CYP2C9
SCHEMBL28699268 0.81 KMT2A (0.62) SMN1; SMN2HTTCYP3A4CYP2D6CYP2C9
SCHEMBL7411525 0.80 MMP9 (0.75) SMN1; SMN2HTTCYP3A4CYP2D6CYP2C9
SCHEMBL12439678 0.79 CYP3A4 (0.69) SMN1; SMN2HTTCYP3A4CYP2D6CYP2C9
SCHEMBL7410572 0.79 ALDH1A1 (0.90) SMN1; SMN2HTTCYP3A4CYP2D6CYP2C9
SCHEMBL6933911 0.79 MMP13 (0.55) SMN1; SMN2HTTCYP3A4CYP2D6CYP2C9
SCHEMBL7529617 0.79 MMP9 (0.89) SMN1; SMN2HTTCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 US disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 US disclosed
US-7935715-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-03 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-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 (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-20080039464-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SMN1; SMN2 4576/4885HTT 4364/4885CYP3A4 1181/4885
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor CNR2, CNR1, OPRL1 SMN1; SMN2 4530/4885HTT 4308/4885CYP3A4 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.