SCHEMBL3386957

SCHEMBL3386957

COCCn1c(C)c(C)s/c1=N\C(=O)c1ccc(SC)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.75
CLK2 P49760 1/20 0.75
CLK4 Q9HAZ1 1/20 0.75
CNR1 P21554 4/20 0.48
CNR2 P34972 4/20 0.48
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
MITF O75030 2/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KMT2A Q03164 2/20 0.42

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
SCHEMBL3386960 1.00 PIM1 (0.75) PIM1CLK2CLK4CNR1CNR2
SCHEMBL3381208 0.86 PIM1 (1.00) PIM1CLK2CLK4CNR1CNR2
SCHEMBL3381200 0.86 PIM1 (1.00) PIM1CLK2CLK4CNR1CNR2
SCHEMBL3380639 0.83 PIM1 (0.54) PIM1CLK2CLK4CNR1CNR2
SCHEMBL3380642 0.83 PIM1 (0.54) PIM1CLK2CLK4CNR1CNR2
SCHEMBL3384552 0.80 PIM1 (0.63) PIM1CLK2CLK4CNR1CNR2
SCHEMBL3384557 0.80 PIM1 (0.63) PIM1CLK2CLK4CNR1CNR2
SCHEMBL3387355 0.77 PIM1 (0.57) PIM1CLK2CLK4CNR1CNR2
SCHEMBL3387148 0.77 PIM1 (0.57) PIM1CLK2CLK4CNR1CNR2
SCHEMBL3385205 0.77 PIM1 (0.55) PIM1CLK2CLK4CNR1CNR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
US-8546583-B2 Pain, inflammatory or immune disorders, neurological disorders, cancers of the immune system, respiratory disorders, cardiovascular disorders, neuroprotection; e.g. 5-chloro-N-[(2Z)-5-(1-hydroxy-1-methylethyl)-3-[((cis)-3-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-methoxybenzamide ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 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-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 PIM1 3054/4885CLK2 2185/4885CLK4 2652/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 PIM1 3231/4885CLK2 2281/4885CLK4 2949/4885

“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.