SCHEMBL2218457

SCHEMBL2218457

CC(C)(C)c1nnc(-c2nn(-c3ccccc3Cl)c(-c3ccc(Br)cc3)c2S(C)(=O)=O)s1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.64
KCNH2 Q12809 1/20 0.64
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CNR1 P21554 1/20 0.38

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
SCHEMBL2220880 0.93 CNR2 (0.55) CNR2KCNH2CYP1A2CYP2C9CNR1
SCHEMBL2220438 0.89 CNR2 (0.70) CNR2KCNH2CYP1A2CYP2C9CNR1
SCHEMBL925267 0.85 CNR2 (0.67) CNR2KCNH2CYP1A2CYP2C9CNR1
SCHEMBL2220812 0.83 CNR2 (0.63) CNR2CYP1A2CYP2C9
SCHEMBL2219465 0.83 CNR2 (0.64) CNR2KCNH2CYP1A2CYP2C9CNR1
SCHEMBL2218955 0.82 CNR2 (0.66) CNR2KCNH2
SCHEMBL2219496 0.81 CNR2 (0.62) CNR2KCNH2CYP1A2CYP2C9CNR1
SCHEMBL2217997 0.81 CNR2 (0.67) CNR2KCNH2
SCHEMBL2219186 0.80 CNR2 (0.55) CNR2
SCHEMBL2219681 0.80 CNR2 (0.60) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309584-B2 Sulfur containing pyrazole-heterocycle derivatives as cannabinoid CB1 receptor antagonists GREEN CROSS CORPORATION (KR) 2012-11-13 US claimed
US-20110178140-A1 SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS GREEN CROSS CORPORATION (KR) 2011-07-21 US claimed
US-8309584-B2 Sulfur containing pyrazole-heterocycle derivatives as cannabinoid CB1 receptor antagonists GREEN CROSS CORPORATION (KR) 2012-11-13 US disclosed
US-8309584-B2 Sulfur containing pyrazole-heterocycle derivatives as cannabinoid CB1 receptor antagonists GREEN CROSS CORPORATION (KR) 2012-11-13 US disclosed
US-8309584-B2 Sulfur containing pyrazole-heterocycle derivatives as cannabinoid CB1 receptor antagonists GREEN CROSS CORPORATION (KR) 2012-11-13 US disclosed
US-20110178140-A1 SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
US-20110178140-A1 SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
US-20110178140-A1 SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
WO-2010035915-A1 SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS GREEN CROSS CORPORATION (KR) 2010-04-01 WO disclosed
WO-2010035915-A1 SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS GREEN CROSS CORPORATION (KR) 2010-04-01 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-20110178140-A1 SULFUR CONTAINING PYRAZOLE-HETEROCYCLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS CNR1, CNR2, GPR119 CNR2 2/4885KCNH2 2213/4885CYP1A2 1159/4885

“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.