SCHEMBL1464255

SCHEMBL1464255

CC(C)(C)c1cc(NC(=O)C2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CCOCC2)no1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.60
CNR1 P21554 7/20 0.60
MMP2 P08253 6/20 0.57
MMP13 P45452 6/20 0.57
MMP9 P14780 5/20 0.57
MMP3 P08254 4/20 0.57
MMP8 P22894 4/20 0.57
MMP14 P50281 4/20 0.57
MMP1 P03956 3/20 0.57
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EGFR P00533 1/20 0.43
MAPT P10636 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
SCHEMBL1463871 0.94 CNR2 (0.65) CNR2CNR1MMP2MMP13MMP9
SCHEMBL1463652 0.92 CNR2 (0.62) CNR2CNR1MMP2MMP13MMP9
SCHEMBL12095844 0.85 CNR2 (0.56) CNR2CNR1MMP2MMP13MMP9
SCHEMBL3964990 0.82 MMP2 (0.48) CNR2CNR1MMP2MMP13MMP9
SCHEMBL3964989 0.82 MMP2 (0.47) CNR2CNR1MMP2MMP13MMP9
SCHEMBL1464580 0.81 CNR2 (0.64) CNR2CNR1CYP2C8CYP2C19HPGD
SCHEMBL1464400 0.81 MMP13 (0.63) MMP2MMP13MMP9MMP3MMP8
SCHEMBL1464300 0.79 CNR2 (0.61) CNR2CNR1CYP2C8CYP2C19HPGD
SCHEMBL1464751 0.79 MMP2 (0.57) CNR2MMP2MMP13MMP9MMP3
SCHEMBL1464610 0.78 MMP2 (0.60) MMP2MMP13MMP9MMP3MMP8

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-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-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 CNR2 1/4885CNR1 2/4885MMP2 2933/4885
US-20110071127-A1 Compounds Which Modulate the CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885MMP2 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.