SCHEMBL1464586

SCHEMBL1464586

Cn1nc(C(C)(C)C)cc1NC(=O)C1(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
CNR2 P34972 1/20 0.47
MMP2 P08253 8/20 0.47
MMP13 P45452 8/20 0.47
MMP9 P14780 7/20 0.47
MMP3 P08254 6/20 0.47
MMP8 P22894 6/20 0.47
MMP14 P50281 6/20 0.46
ALDH1A1 P00352 1/20 0.46
MMP1 P03956 1/20 0.45
MAPK14 Q16539 5/20 0.44
MAPK11 Q15759 2/20 0.43
ERBB2 P04626 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 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
SCHEMBL1464751 0.93 MMP2 (0.57) MAPTCNR2MMP2MMP13MMP9
SCHEMBL1465025 0.87 CNR2 (0.64) MAPTCNR2MMP13MMP9ALDH1A1
SCHEMBL12095928 0.80 MMP2 (0.43) MAPTCNR2MMP2MMP13MMP9
SCHEMBL3964900 0.79 KDM4E (0.43) MAPTMMP2MMP13MMP9MMP3
SCHEMBL12827697 0.78 MMP2 (0.55) MMP2MMP13MMP9MMP3MMP8
SCHEMBL12095949 0.77 CNR2 (0.47) MAPTCNR2MAPK14MAPK11MAPK13
SCHEMBL1464750 0.77 SMN1; SMN2 (0.51) MAPTMMP2MMP13MMP9MMP3
SCHEMBL1463871 0.76 CNR2 (0.65) MAPTCNR2MMP2MMP13MMP9
SCHEMBL1464830 0.75 CNR2 (0.47) MAPTCNR2MAPK14MAPK11ERBB2
SCHEMBL1463903 0.73 MMP2 (0.51) MAPTMMP2MMP13MMP9MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 US claimed
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-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

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 MAPT 3663/4885CNR2 1/4885MMP2 2933/4885
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor CNR2, CNR1, OPRL1 MAPT 3628/4885CNR2 1/4885MMP2 2815/4885

“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.