Sugi Predict

Sugi Predict / Compounds / SCHEMBL4802776

SCHEMBL4802776

SCHEMBL4802776

CCCCCOS(=O)(=O)CC(F)C(F)CF

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 12/20 0.44
▸ CA1 P00915 10/20 0.44
▸ CA9 Q16790 8/20 0.44
▸ CA12 O43570 3/20 0.43
▸ CA7 P43166 3/20 0.43
▸ CA14 Q9ULX7 3/20 0.43
▸ CA3 P07451 2/20 0.43
▸ CA4 P22748 2/20 0.43
▸ CA6 P23280 2/20 0.43
▸ CA5A P35218 2/20 0.43
▸ CA5B Q9Y2D0 2/20 0.43
▸ RECQL P46063 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 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
SCHEMBL28627748 0.74 CA2 (0.42) CA2CA1CA9CA12CA7
SCHEMBL29111615 0.74 CA1 (0.53) CA2CA1CA9CA12CA7
SCHEMBL8397860 0.74 CA1 (0.53) CA2CA1CA9CA12CA7
SCHEMBL3190035 0.72 CA1 (0.62) CA2CA1CA9CA12CA7
SCHEMBL28063173 0.71 CA1 (0.50) CA2CA1CA9CA12CA7
SCHEMBL27584588 0.71 CA1 (0.50) CA2CA1CA9CA12CA7
SCHEMBL4952741 0.71 RECQL (0.53) CA2CA1CA9CA12CA7
SCHEMBL8710982 0.71 CA1 (0.64) CA2CA1CA9CA12CA7
SCHEMBL8377214 0.71 CA1 (0.64) CA2CA1CA9CA12CA7
SCHEMBL8376307 0.71 CA1 (0.64) CA2CA1CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494673-B1 COMPOUNDS HAVING UNIQUE CB1 RECEPTOR BINDING SELECTIVITY AND METHODS FOR THEIR PRODUCTION AND USE RES TRIANGLE INST (US) 2008-08-13 — — EP disclosed
EP-1494673-A4 COMPOUNDS HAVING UNIQUE CB1 RECEPTOR BINDING SELECTIVITY AND METHODS FOR THEIR PRODUCTION AND USE RES TRIANGLE INST (US) 2006-01-18 — — EP disclosed
EP-1494673-A1 COMPOUNDS HAVING UNIQUE CB1 RECEPTOR BINDING SELECTIVITY AND METHODS FOR THEIR PRODUCTION AND USE RESEARCH TRIANGLE INSTITUTE (US) 2005-01-12 — — EP disclosed
US-6825209-B2 AN AMIDE DERIVATIVE USED AS CANNABINOID ANTAGONIST FOR THE TREATMENT OF OBESITY, SCHIZOPHRENIA, MEMORY DYSFUNCTION AND MARIJUANA ABUSE RESEARCH TRIANGLE INSTITUTE 2004-11-30 — — US disclosed
WO-2003088968-A1 COMPOUNDS HAVING UNIQUE CB1 RECEPTOR BINDING SELECTIVITY AND METHODS FOR THEIR PRODUCTION AND USE RESEARCH TRIANGLE INSTITUTE (US) 2003-10-30 — — WO disclosed
US-20030199536-A1 Compounds having unique CB1 receptor binding selectivity and methods for their production and use RESEARCH TRIANGLE INSTITUTE (US) 2003-10-23 — — 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-20030199536-A1 Compounds having unique CB1 receptor binding selectivity and methods for their production and use CNR1, CNR2, GPR18 CA2 4081/4885CA1 1873/4885CA9 4370/4885

“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.