SCHEMBL3632789

SCHEMBL3632789

CCCCCCCCCCCCCCCCC(CCC)OP(=O)(OC(CCC)CCCCCCCCCCCCCCCC)OC(CCC)CCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.50
FDPS P14324 5/20 0.45
S1PR2 O95136 5/20 0.43
S1PR1 P21453 5/20 0.43
S1PR3 Q99500 5/20 0.43
S1PR4 O95977 4/20 0.43
LAP3 P28838 2/20 0.42
PTPN1 P18031 1/20 0.40
TRPM8 Q7Z2W7 2/20 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
SCHEMBL10690774 1.00 SMPD1 (0.50) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL3626021 1.00 SMPD1 (0.50) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL3823615 0.98 SMPD1 (0.47) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL4445804 0.96 SMPD1 (0.53) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL11031332 0.96 SMPD1 (0.53) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL9437001 0.96 SMPD1 (0.53) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL4946872 0.96 SMPD1 (0.53) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL4448138 0.96 SMPD1 (0.53) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL4947012 0.96 SMPD1 (0.53) SMPD1FDPSS1PR2S1PR1S1PR3
SCHEMBL4942372 0.96 SMPD1 (0.53) SMPD1FDPSS1PR2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305322-A4 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF DPHARM LTD (IL) 2005-04-13 EP claimed
JP-2004505898-A 2004-02-26 JP claimed
US-20030186897-A1 Derivatives of branched-chain lipophilic molecules and uses thereof D-PHARM, LTD. (IL) 2003-10-02 US claimed
EP-1305322-A2 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF D-Pharm Ltd. (IL) 2003-05-02 EP claimed
WO-2002011666-A2 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF D-PHARM LTD. (IL) 2002-02-14 WO claimed
US-7687483-B2 Derivatives of branch-chain lipophilic molecular and uses thereof D-PHARM LTD. (IL) 2010-03-30 US disclosed
US-20070135381-A1 Derivatives of branch-chain lipophilic molecular and uses thereof D-PHARM LTD. (IL) 2007-06-14 US disclosed
US-7186703-B2 Derivatives of branched-chain lipophilic molecules and uses thereof D-PHARM LTD. (IL) 2007-03-06 US disclosed
EP-1305322-A4 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF DPHARM LTD (IL) 2005-04-13 EP disclosed
US-20030186897-A1 Derivatives of branched-chain lipophilic molecules and uses thereof D-PHARM, LTD. (IL) 2003-10-02 US disclosed
EP-1305322-A2 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF D-Pharm Ltd. (IL) 2003-05-02 EP disclosed
WO-2002011666-A2 DERIVATIVES OF BRANCHED-CHAIN LIPOPHILIC MOLECULES AND USES THEREOF D-PHARM LTD. (IL) 2002-02-14 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 (2 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-20070135381-A1 Derivatives of branch-chain lipophilic molecular and uses thereof PLIN3, GLS, LIPG SMPD1 172/4885FDPS 624/4885S1PR2 513/4885
US-20030186897-A1 Derivatives of branched-chain lipophilic molecules and uses thereof PLIN3, PLIN5, SLC27A1 SMPD1 415/4885FDPS 957/4885S1PR2 497/4885

“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.