SCHEMBL3782800

SCHEMBL3782800

CCCCN(C)S(=O)(=O)C(C)(C)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIN1 Q13526 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM5A P29375 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
RECQL P46063 1/20 0.33
MMP8 P22894 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3777829 0.81 CA12 (0.35) MEN1KMT2AALDH1A1KDM5AKDM4C
SCHEMBL3783953 0.79 GAA (0.39) CYP4F2CYP4A11MEN1KMT2APIN1
SCHEMBL3781229 0.75 ALDH1A1 (0.42) CYP4F2CYP4A11MEN1KMT2AATM
SCHEMBL1619326 0.73 CYP4F2 (0.40) CYP4F2CYP4A11MEN1KMT2AMAPT
SCHEMBL3770074 0.70 CYP4F2 (0.34) CYP4F2CYP4A11MEN1KMT2APIN1
SCHEMBL13015650 0.70 MEN1 (0.36) MEN1KMT2AMAPTTDP1
SCHEMBL1621367 0.69 ALOX15 (0.42) CYP4F2CYP4A11MEN1KMT2APIN1
SCHEMBL13232097 0.69 CYP4F2 (0.41) CYP4F2CYP4A11MEN1KMT2APIN1
SCHEMBL1620933 0.69 CYP4F2 (0.41) CYP4F2CYP4A11MEN1KMT2APIN1
SCHEMBL3784911 0.69 CA12 (0.43) CYP4F2CYP4A11MEN1KMT2AMAPT

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 CYP4F2 1284/4885CYP4A11 495/4885MEN1 4834/4885

“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.