SCHEMBL1698748

SCHEMBL1698748

CC(C)CC(C)OP(O)(F)=S

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.37
ANPEP P15144 3/20 0.37
ERAP1 Q9NZ08 1/20 0.37
CTSA P10619 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL12038322 0.83 CTSA (0.36) LAP3ANPEPERAP1CTSAACHE
SCHEMBL1698632 0.79
SCHEMBL4738766 0.77 LAP3 (0.37) LAP3ANPEPERAP1
SCHEMBL1698634 0.76 METAP1 (0.36)
SCHEMBL4319783 0.73 LAP3 (0.46) LAP3ANPEPERAP1CTSAACHE
SCHEMBL18826043 0.73 LAP3 (0.46) LAP3ANPEPERAP1
SCHEMBL25787055 0.73 LAP3 (0.46) LAP3ANPEPERAP1
SCHEMBL8020240 0.73 ANPEP (0.31) LAP3ANPEPERAP1
SCHEMBL18535335 0.73 ANPEP (0.31) LAP3ANPEPERAP1
SCHEMBL159529 0.71 RNPEP (0.31) LAP3ANPEPERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791056-B2 Alkylphosphorofluoridothioates having low wear volume and methods for synthesizing and using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-29 US disclosed
US-20110319303-A1 ALKYLPHOSPHOROFLUORIDOTHIOATES HAVING LOW WEAR VOLUME AND METHODS FOR SYNTHESIZING AND USING SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-12-29 US disclosed
WO-2011163592-A2 ALKYLPHOSHOROFLUORIDOTHIOATES HAVING LOW WEAR VOLUME AND METHODS FOR SYNTHESIZING AND USING SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-12-29 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-20110319303-A1 ALKYLPHOSPHOROFLUORIDOTHIOATES HAVING LOW WEAR VOLUME AND METHODS FOR SYNTHESIZING AND USING SAME ACR, MTAP, PLTP LAP3 2795/4885ANPEP 828/4885ERAP1 1740/4885

“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.