SCHEMBL3447315

SCHEMBL3447315

CCCCCCCCOP(=O)(OCCCCCCCC)OP(=O)(O)OCC(O)CO

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
LPAR5 Q9H1C0 2/20 0.51
LPAR3 Q9UBY5 6/20 0.47
LPAR1 Q92633 5/20 0.47
LPAR2 Q9HBW0 3/20 0.47
SELP P16109 1/20 0.43
KDM4E B2RXH2 1/20 0.43
DUSP3 P51452 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
P2RY10 O00398 5/20 0.43
LPAR6 P43657 1/20 0.42
LPAR4 Q99677 1/20 0.42
ENPP2 Q13822 1/20 0.42
GPR174 Q9BXC1 4/20 0.41
GPR34 Q9UPC5 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL3447313 0.96 LPAR5 (0.50) USP2LPAR5LPAR3LPAR1LPAR2
SCHEMBL30888163 0.88 USP2 (0.57) USP2LPAR5LPAR3LPAR1LPAR2
SCHEMBL17528452 0.88 USP2 (0.57) USP2LPAR5LPAR3LPAR1LPAR2
SCHEMBL28659331 0.88 USP2 (0.57) USP2LPAR5LPAR3LPAR1LPAR2
SCHEMBL10664178 0.88 USP2 (0.57) USP2LPAR5LPAR3LPAR1LPAR2
SCHEMBL23016732 0.88 USP2 (0.57) USP2LPAR5LPAR3LPAR1LPAR2
SCHEMBL9286668 0.86 USP2 (0.54) USP2LPAR5LPAR3LPAR1LPAR2
SCHEMBL10656925 0.86 USP2 (0.59) USP2LPAR5LPAR3LPAR1LPAR2
SCHEMBL173662 0.86 USP2 (0.54) USP2LPAR5LPAR3LPAR1LPAR2
SCHEMBL11287326 0.86 USP2 (0.59) USP2LPAR5LPAR3LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361872-A4 NOVEL LYSOPHOSPHATIDIC ACID RECEPTOR AGONISTS AND ANTAGONISTS UNIV VIRGINIA (US) 2004-05-19 EP claimed
EP-1361872-A2 NOVEL LYSOPHOSPHATIDIC ACID RECEPTOR AGONISTS AND ANTAGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-11-19 EP claimed
WO-2002029001-A2 NOVEL LYSOPHOSPHATIDIC ACID RECEPTOR AGONISTS AND ANTAGONISTS UNIVERSITY OF VIRGINIAN PATENT FOUNDATION (US) 2002-04-11 WO claimed
US-7820703-B2 Lysophosphatidic acid receptor selective antagonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-10-26 US disclosed
US-20080318901-A1 Novel Lysophosphatidic Acid Receptor Selective Antagonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-12-25 US disclosed
EP-1750722-A2 NOVEL LYSOPHOSPHATIDIC ACID RECEPTOR SELECTIVE ANTAGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-02-14 EP disclosed
US-7169818-B2 Lysophosphatidic acid receptor agonists and antagonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-01-30 US disclosed
WO-2005115150-A2 NOVEL LYSOPHOSPHATIDIC ACID RECEPTOR SELECTIVE ANTAGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-12-08 WO disclosed
US-20050107447-A1 Novel lysophosphatidic acid receptor agonists and antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-05-19 US disclosed
US-20040122236-A1 Novel lysophosphatidic acid receptor agonists and antagonists UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2004-06-24 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 (3 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-20050107447-A1 Novel lysophosphatidic acid receptor agonists and antagonists LPAR3, LPAR2, LPAR1 USP2 3149/4885LPAR5 5/4885LPAR3 1/4885
US-20040122236-A1 Novel lysophosphatidic acid receptor agonists and antagonists LPAR3, LPAR2, LPAR1 USP2 3149/4885LPAR5 5/4885LPAR3 1/4885
US-20080318901-A1 Novel Lysophosphatidic Acid Receptor Selective Antagonists LPAR3, LPAR2, LPAR1 USP2 3132/4885LPAR5 5/4885LPAR3 1/4885

“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.