SCHEMBL5457097

SCHEMBL5457097

O=S(=O)(CCCCCS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
FAAH O00519 5/20 0.36
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CES1 P23141 5/20 0.34
CES2 O00748 2/20 0.34
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL17092516 1.00 CA2 (0.37) CA2FAAHCA1CA7CA13
SCHEMBL5469606 0.97 CA2 (0.37) CA2FAAHCA1CA7CA13
SCHEMBL21414876 0.90 CA1 (0.37) CA2CA1CA7CA13EPHX1
SCHEMBL4076093 0.87 FAAH (0.56) CA2FAAHCES1CES2EPHX1
SCHEMBL20603828 0.87 CA2 (0.31) CA2FAAH
SCHEMBL23520532 0.87 FAAH (0.56) CA2FAAHCES1CES2EPHX1
SCHEMBL1321107 0.87 CA2 (0.38) CA2CA1CA7CA13ALDH1A1
SCHEMBL1319976 0.87 CA2 (0.38) CA2CA1CA7CA13ALDH1A1
SCHEMBL1318735 0.87 CA2 (0.38) CA2CA1CA7CA13ALDH1A1
SCHEMBL1319037 0.87 CA2 (0.38) CA2CA1CA7CA13ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020114150-A1 SYNTHESIS METHOD FOR SYNTHESIZING CARBAMATE USING DIMETHYL SULFOXIDE YLIDE, AMINE AND CARBON DIOXIDE 华南理工大学 2020-06-11 WO claimed
US-9064633-B2 Method for synthesizing quaternary ammonium systems HONEYWELL INTERNATIONAL INC. (US) 2015-06-23 US claimed
CN-104356259-A Olefin polymerization catalyst and combined catalyst containing same PETROCHINA CO LTD 2015-02-18 CN claimed
US-20130264510-A1 METHOD FOR SYNTHESIZING QUATERNARY AMMONIUM SYSTEMS HONEYWELL INT INC (US) 2013-10-10 US claimed
US-8426593-B2 Method for synthesizing quaternary ammonium systems HONEYWELL INTERNATIONAL INC. (US) 2013-04-23 US claimed
US-20070049750-A1 Method for synthesizing spiro quartenary ammonium systems HONEYWELL INTERNATIONAL INC. (US) 2007-03-01 US claimed
CN-104356259-A Olefin polymerization catalyst and combined catalyst containing same PETROCHINA CO LTD 2015-02-18 CN 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-20070049750-A1 Method for synthesizing spiro quartenary ammonium systems REN, AGT, PKD1 CA2 432/4885FAAH 4423/4885CA1 1237/4885

“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.