SCHEMBL1464643

SCHEMBL1464643

CC(C)(C)c1csc(NC(=O)C2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CCOCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.57
MMP13 P45452 9/20 0.57
MMP9 P14780 8/20 0.57
MMP14 P50281 7/20 0.57
MMP3 P08254 6/20 0.57
MMP8 P22894 6/20 0.57
MMP1 P03956 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
GCK P35557 1/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 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
SCHEMBL1464750 0.93 SMN1; SMN2 (0.51) MMP2MMP13MMP9MMP14MMP3
SCHEMBL12635623 0.90 SMN1; SMN2 (0.48) MMP2MMP13MMP9MMP14MMP3
SCHEMBL12827537 0.87 MMP13 (0.53) MMP2MMP13MMP9MMP14MMP3
SCHEMBL12095680 0.85 GCK (0.46) MMP2MMP13MMP9MMP14MMP3
SCHEMBL1465275 0.83 MMP2 (0.54) MMP2MMP13MMP9MMP14MMP3
SCHEMBL3967702 0.81 MMP13 (0.51) MMP2MMP13MMP9MMP14MMP3
SCHEMBL1463671 0.80 MAPT (0.63) SMN1; SMN2TAS1R3TAS1R1TAS1R2NPC1
SCHEMBL3967700 0.80 MMP2 (0.47) MMP2MMP13MMP9MMP14MMP3
SCHEMBL1464751 0.79 MMP2 (0.57) MMP2MMP13MMP9MMP14MMP3
SCHEMBL12827894 0.79 MMP2 (0.45) MMP2MMP13MMP9MMP14MMP3

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
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-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
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP 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 (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-20110071127-A1 Compounds Which Modulate the CB2 Receptor CNR2, CNR1, OPRL1 MMP2 2815/4885MMP13 2479/4885MMP9 3308/4885

“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.