SCHEMBL14740737

SCHEMBL14740737

CCCCCCCCCCCCCCCCCCOP(=O)(CN(CCC(=O)O)CP(=O)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.46
LPAR1 Q92633 2/20 0.46
LPAR2 Q9HBW0 2/20 0.46
GPR84 Q9NQS5 7/20 0.43
PPARG P37231 7/20 0.43
PPARD Q03181 7/20 0.43
PPARA Q07869 7/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 4/20 0.43
PTPN1 P18031 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
ALOX15 P16050 1/20 0.43
PDE4A P27815 1/20 0.43

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
SCHEMBL14747173 0.87 LPAR3 (0.45) LPAR3LPAR1LPAR2GPR84PPARG
SCHEMBL14747177 0.84 LPAR3 (0.49) LPAR3LPAR1LPAR2GPR84PPARG
SCHEMBL14770373 0.81 LPAR3 (0.47) LPAR3LPAR1LPAR2MEN1ESR1
SCHEMBL19979595 0.80 CYP3A4 (0.47) LPAR3LPAR1LPAR2TSHRMEN1
SCHEMBL14760633 0.77 LPAR3 (0.47) LPAR3LPAR1LPAR2GPR84PPARG
SCHEMBL16238472 0.76 LPAR3 (0.42) LPAR3LPAR1LPAR2TSHRMEN1
SCHEMBL19979608 0.76 LPAR3 (0.46) LPAR3LPAR1LPAR2
SCHEMBL20049675 0.76 LPAR3 (0.42) LPAR3LPAR1LPAR2MEN1ESR1
SCHEMBL16238812 0.76 LPAR3 (0.42) LPAR3LPAR1LPAR2TSHRMEN1
SCHEMBL16238700 0.76 LPAR3 (0.42) LPAR3LPAR1LPAR2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150030541-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES MNK 2011 LLC (F/K/A MALLINCKRODT INC.) 2015-01-29 US disclosed
US-20150030541-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES MNK 2011 LLC (F/K/A MALLINCKRODT INC.) 2015-01-29 US disclosed
US-20150030541-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES MNK 2011 LLC (F/K/A MALLINCKRODT INC.) 2015-01-29 US disclosed
US-8889657-B2 Nanoparticle PEG modification with H-phosphonates MALLINCKRODT LLC (US) 2014-11-18 US disclosed
US-8889657-B2 Nanoparticle PEG modification with H-phosphonates MALLINCKRODT LLC (US) 2014-11-18 US disclosed
US-8889657-B2 Nanoparticle PEG modification with H-phosphonates MALLINCKRODT LLC (US) 2014-11-18 US disclosed
EP-2750712-A2 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES Mallinckrodt LLC (US) 2014-07-09 EP disclosed
US-20130066086-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES MALLINCKRODT LLC (US) 2013-03-14 US disclosed
US-20130066086-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES MALLINCKRODT LLC (US) 2013-03-14 US disclosed
US-20130066086-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES MALLINCKRODT LLC (US) 2013-03-14 US disclosed
WO-2013033438-A2 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES MALLINCKRODT LLC (US) 2013-03-07 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-20150030541-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES PHOSPHO1, PHPT1, HPSE LPAR3 679/4885LPAR1 773/4885LPAR2 1113/4885
US-20130066086-A1 NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES PHOSPHO1, PHPT1, HPSE LPAR3 679/4885LPAR1 773/4885LPAR2 1113/4885

“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.