SCHEMBL12827697

SCHEMBL12827697

C=C(C)c1cc(NC(=O)C2(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CCOCC2)n(C)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 18/20 0.55
MMP13 P45452 18/20 0.55
MMP9 P14780 15/20 0.55
MMP3 P08254 11/20 0.55
MMP8 P22894 11/20 0.55
MMP14 P50281 11/20 0.53
MMP1 P03956 4/20 0.53
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39

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 0.86 MMP2 (0.57) MMP2MMP13MMP9MMP3MMP8
SCHEMBL12827706 0.80 ATM (0.52) MMP13MMP9MMP1CYP3A4PKM
SCHEMBL12827537 0.80 MMP13 (0.53) MMP2MMP13MMP9MMP3MMP8
SCHEMBL1464586 0.78 MAPT (0.48) MMP2MMP13MMP9MMP3MMP8
SCHEMBL12827677 0.75 MMP2 (0.52) MMP2MMP13MMP9MMP3MMP8
SCHEMBL1464400 0.74 MMP13 (0.63) MMP2MMP13MMP9MMP3MMP8
SCHEMBL1464610 0.73 MMP2 (0.60) MMP2MMP13MMP9MMP3MMP8
SCHEMBL1464255 0.73 CNR2 (0.60) MMP2MMP13MMP9MMP3MMP8
SCHEMBL12827674 0.73 MAPT (0.47) MMP2MMP13MMP9MMP3MMP8
SCHEMBL12827894 0.72 MMP2 (0.45) 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 2 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-20110071127-A1 Compounds Which Modulate the CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 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 (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.