SCHEMBL7185870

SCHEMBL7185870

CCCCCCCC/C=C\CCCCCCCCC(C[N+](C)(C)CC)OP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.48
LPAR3 Q9UBY5 5/20 0.46
LPAR1 Q92633 7/20 0.44
LPAR2 Q9HBW0 3/20 0.44
ENPP2 Q13822 3/20 0.42
LPAR4 Q99677 2/20 0.40
LPAR5 Q9H1C0 2/20 0.40
CES2 O00748 1/20 0.40
PTPN1 P18031 1/20 0.40
LPAR6 P43657 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 4/20 0.40
S1PR4 O95977 3/20 0.40
S1PR2 O95136 3/20 0.40
S1PR5 Q9H228 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSPO P30536 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL9027151 1.00 SMPD1 (0.48) SMPD1LPAR3LPAR1LPAR2ENPP2
SCHEMBL7180089 1.00 SMPD1 (0.48) SMPD1LPAR3LPAR1LPAR2ENPP2
SCHEMBL9711433 1.00 SMPD1 (0.48) SMPD1LPAR3LPAR1LPAR2ENPP2
SCHEMBL9026274 1.00 SMPD1 (0.48) SMPD1LPAR3LPAR1LPAR2ENPP2
SCHEMBL7182172 0.92 SMPD1 (0.56) SMPD1LPAR3LPAR1LPAR2PTPN1
SCHEMBL7192780 0.92 SMPD1 (0.56) SMPD1LPAR3LPAR1LPAR2PTPN1
SCHEMBL7183671 0.92 SMPD1 (0.56) SMPD1LPAR3LPAR1LPAR2PTPN1
SCHEMBL9026174 0.91 SMPD1 (0.49) SMPD1LPAR3LPAR1LPAR2ENPP2
SCHEMBL7185533 0.91 SMPD1 (0.49) SMPD1LPAR3LPAR1LPAR2ENPP2
SCHEMBL9130340 0.91 SMPD1 (0.49) SMPD1LPAR3LPAR1LPAR2ENPP2

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
US-6506393-B2 Administering phosphocholine compound; leishmaniasis treatment ZENTARIS AG (DE) 2003-01-14 US disclosed
US-20010008885-A1 Methods of treating protozoal diseases MAX-PLANCK-GESSELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E. V. 2001-07-19 US disclosed
US-6254879-B1 QUATERNARIUMAMINOETHYLPHOSPHATES Max-Planck-Gessellschaft zun Förderung der Wissenschaften e.V. (DE) 2001-07-03 US disclosed
US-5980915-A ADMINISTERING AN ANTIPROTOZOA AGENT MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN (DE) 1999-11-09 US disclosed
EP-0534445-B1 Process for the preparation of a medicament for oral or topical administration in the treatment of leishmaniasis MAX PLANCK GESELLSCHAFT (DE) 1999-03-24 EP disclosed
EP-0534445-A1 Process for the preparation of a medicament for oral or topical administration in the treatment of leishmaniasis Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1993-03-31 EP 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-20010008885-A1 Methods of treating protozoal diseases HRH2, HRH1, HRH4 SMPD1 300/4885LPAR3 141/4885LPAR1 194/4885

“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.