SCHEMBL3781229

SCHEMBL3781229

CCOC(=O)C(C)(C)S(=O)(=O)N(C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
MMP8 P22894 2/20 0.40
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
PKM P14618 3/20 0.33
ATM Q13315 1/20 0.33
PIN1 Q13526 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PHGDH O43175 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
PMP22 Q01453 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL3783953 0.83 GAA (0.39) ALDH1A1MMP8CYP4F2CYP4A11PKM
SCHEMBL1621562 0.79 MMP8 (0.43) ALDH1A1HPGDMMP8CYP4F2CYP4A11
SCHEMBL3770074 0.74 CYP4F2 (0.34) ALDH1A1MMP8CYP4F2CYP4A11PKM
SCHEMBL1619324 0.73 MMP8 (0.41) ALDH1A1MMP8CYP4F2CYP4A11PKM
SCHEMBL1621560 0.73 MMP8 (0.45) ALDH1A1MMP8CYP4F2CYP4A11PKM
SCHEMBL766871 0.73 MMP8 (0.41) ALDH1A1MMP8CYP4F2CYP4A11PKM
SCHEMBL10171787 0.73 MMP8 (0.41) ALDH1A1MMP8CYP4F2CYP4A11PKM
SCHEMBL1621367 0.72 ALOX15 (0.42) ALDH1A1MMP8CYP4F2CYP4A11PKM
SCHEMBL1620933 0.72 CYP4F2 (0.41) ALDH1A1MMP8CYP4F2CYP4A11PKM
SCHEMBL13232097 0.72 CYP4F2 (0.41) ALDH1A1MMP8CYP4F2CYP4A11PKM

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-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 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-20100331304-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ALDH1A1 1785/4885HPGD 637/4885MMP8 1005/4885

“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.