SCHEMBL4285702

SCHEMBL4285702

C=CCCCCCCCCCP(=O)(O)OCC

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 6/20 0.53
LPAR2 Q9HBW0 4/20 0.53
PPARD Q03181 1/20 0.50
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.41
ABCC4 O15439 1/20 0.41
CETP P11597 4/20 0.41
LPAR1 Q92633 2/20 0.38
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11316419 1.00 LPAR3 (0.53) LPAR3LPAR2PPARDALDH1A1LMNA
SCHEMBL9701578 0.98 PPARD (0.52) LPAR3LPAR2PPARDALDH1A1LMNA
SCHEMBL9700821 0.93 PPARD (0.53) LPAR3LPAR2PPARDALDH1A1LMNA
SCHEMBL2954341 0.85 LPAR3 (0.46) LPAR3LPAR2PPARDALDH1A1LMNA
SCHEMBL5701223 0.84 LPAR3 (0.50) LPAR3LPAR2ALDH1A1LMNATSHR
SCHEMBL5701225 0.82 LPAR3 (0.49) LPAR3LPAR2ALDH1A1LMNATSHR
SCHEMBL2955740 0.81 LPAR3 (0.47) LPAR3LPAR2PPARDALDH1A1LMNA
SCHEMBL8993904 0.81 LPAR3 (0.47) LPAR3LPAR2PPARDALDH1A1LMNA
SCHEMBL9701750 0.81 LPAR3 (0.47) LPAR3LPAR2PPARDALDH1A1LMNA
SCHEMBL29365891 0.81 LPAR3 (0.62) LPAR3LPAR2CETPLPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090208451-A1 HALOGEN PHOSPHONATE MONOESTERS INTEGRIGEN, INC. (US) 2009-08-20 US disclosed
US-20090208451-A1 HALOGEN PHOSPHONATE MONOESTERS INTEGRIGEN, INC. (US) 2009-08-20 US disclosed
US-20090155828-A1 METHODS OF DETECTING PROSTATE CANCER THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-06-18 US disclosed
US-20060171947-A1 Serine/threonine hydrolase proteins and screening assays BURNHAM INSTITUTE 2006-08-03 US disclosed
US-7083987-B2 Activity based probe analysis ACTIVX BIOSCIENCES, INC. (US) 2006-08-01 US disclosed
US-20050287594-A1 Activity-based probes having specificity to the active form of enzymes and receptors; screening for desired biological activities or target proteins SCRIPPS RESEARCH INSTITUTE, THE 2005-12-29 US disclosed
US-6872574-B2 Generating and screening compound libraries that are used for the identification of lead molecules, and for the parallel identification of their biological targets THE SCRIPPS RESEARCH INSTITUTE (US) 2005-03-29 US disclosed
EP-1364209-A4 ACTIVITY BASED PROBE ANALYSIS ACTIVX BIOSCIENCES INC (US) 2004-04-14 EP disclosed
EP-1364209-A2 ACTIVITY BASED PROBE ANALYSIS Activx Biosciences, Inc. (US) 2003-11-26 EP disclosed
US-20030175986-A1 Activity based probe analysis ACTIVX BIOSCIENCES, INC. 2003-09-18 US disclosed
US-20030096328-A1 Serine/threonine hydrolase proteins and screening assays BURNHAM INSTITUTE 2003-05-22 US disclosed
EP-1275006-A2 PROTEOMIC ANALYSIS USING ACTIVITY-BASED PROBE LIBRARIES The Scripps Research Institute (US) 2003-01-15 EP disclosed
US-20020182652-A1 Proteomic analysis NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2002-12-05 US disclosed
WO-2002063271-A2 ACTIVITY BASED PROBE ANALYSIS ACTIVX BIOSCIENCES, INC. (US) 2002-08-15 WO disclosed
US-20020064799-A1 Proteomic analysis THE SCRIPPS RESEARCH INSTITUTE OF AN ASSIGNMENT 2002-05-30 US disclosed
US-20020045194-A1 Proteomic analysis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-04-18 US disclosed
US-20020040275-A1 Proteomic analysis THE SCRIPPS RESEARCH INSTITUTE 2002-04-04 US disclosed
WO-2001077668-A2 PROTEOMIC ANALYSIS USING ACTIVE-SITE DIRECTED PROBES THE SCRIPPS RESEARCH INSTITUTE (US) 2001-10-18 WO disclosed
WO-2001077684-A2 PROTEOMIC ANALYSIS USING ACTIVITY-BASED PROBE LIBRARIES THE SCRIPPS RESEARCH INSTITUTE (US) 2001-10-18 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-20090208451-A1 HALOGEN PHOSPHONATE MONOESTERS FCGRT, PTMS, DNPEP LPAR3 1556/4885LPAR2 3253/4885PPARD 2806/4885

“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.