SCHEMBL3780491

SCHEMBL3780491

CCOC(=O)C(C)(C)S(=O)(=O)N1CCCCC1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.41
FKBP1A P62942 3/20 0.40
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3775543 0.79 AKR1C3 (0.46) AKR1C3HSD11B1LMNAMEN1KMT2A
SCHEMBL3785063 0.77 ALDH1A1 (0.45) KDM4ELMNAMEN1KMT2ATSHR
SCHEMBL3784823 0.76 ALDH1A1 (0.44) KDM4ELMNAMEN1KMT2ATSHR
SCHEMBL1691163 0.74 ALDH1A1 (0.42) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL14960394 0.71 FKBP1A (0.39) FKBP1AKDM4EMEN1KMT2ATSHR
SCHEMBL1619640 0.71 ALDH1A1 (0.35) FKBP1AKDM4ELMNAMEN1KMT2A
SCHEMBL13015613 0.71 PSEN1 (0.44) AKR1C3HSD11B1LMNAKMT2APSEN1
SCHEMBL3783912 0.70 MAPT (0.39) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL3770086 0.70 MAPT (0.39) HSD11B1LMNAMEN1KMT2ATSHR
SCHEMBL1621536 0.70 ALDH1A1 (0.37) FKBP1ALMNAMEN1KMT2ATSHR

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 8 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
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 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-20100331304-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 AKR1C3 988/4885FKBP1A 756/4885HSD11B1 1274/4885

“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.