SCHEMBL3149551

SCHEMBL3149551

CCS(=O)(=O)c1ccc(I)s1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.37
CA2 P00918 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LOX P28300 5/20 0.35
GAA P10253 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2650407 0.77 LOX (0.44) L3MBTL1LOXLOXL2
SCHEMBL3202432 0.74 MAPT (0.51) CYP3A4CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL12780488 0.74 KMT2A (0.51) L3MBTL1GAAMAPTMEN1TSHR
SCHEMBL2997802 0.73 L3MBTL1 (0.33) L3MBTL1
SCHEMBL2515598 0.72 PSIP1 (0.35) PSIP1CA2L3MBTL1LOXGAA
SCHEMBL12123978 0.71 CYP3A4 (0.36) PSIP1CA2L3MBTL1LOXGAA
SCHEMBL2515601 0.71 ALDH1A1 (0.46) PSIP1CA2L3MBTL1LOXGAA
SCHEMBL6326036 0.69 PSIP1 (0.38) PSIP1CA2L3MBTL1LOXGAA
SCHEMBL2522107 0.69 LMNA (0.49) PSIP1CA2CYP3A4CYP2D6MAPT
SCHEMBL16879783 0.67 L3MBTL1 (0.56) L3MBTL1LOXLOXL2MAPTPOLB

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-9284303-B2 Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA N.V. (BE) 2016-03-15 US disclosed
US-20130324529-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2013-12-05 US disclosed
US-8524757-B2 Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA NV (BE) 2013-09-03 US disclosed
EP-2081572-B1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2010-03-03 EP disclosed
CN-101621998-A Benzimidazole cannabinoid agonists bearing a substituted heterocyclic group JANSSEN PHARMACEUTICA NV 2010-01-06 CN disclosed
US-20090312339-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2009-12-17 US disclosed
EP-2081572-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA N.V. (BE) 2009-07-29 EP disclosed
WO-2008003665-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP JANSSEN PHARMACEUTICA NV (BE) 2008-01-10 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 (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-20090312339-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP CNR1, CNR2, GPR18 PSIP1 3249/4885CA2 3755/4885L3MBTL1 4749/4885
US-20130324529-A1 BENZIMIDAZOLE CANNABINOID AGONISTS BEARING A SUBSTITUTED HETEROCYCLIC GROUP CNR1, CNR2, GPR18 PSIP1 3249/4885CA2 3755/4885L3MBTL1 4749/4885

“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.