SCHEMBL867303

SCHEMBL867303

C=C(COCCOP(=O)(O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.38
TPI1 P60174 2/20 0.35
LPAR3 Q9UBY5 5/20 0.35
LPAR2 Q9HBW0 3/20 0.35
LPAR1 Q92633 2/20 0.34
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
PGD P52209 1/20 0.32
MVD P53602 1/20 0.32
BTN3A1 O00481 1/20 0.31

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
SCHEMBL10322571 0.82 PEPD (0.39) PEPDTPI1PGK1PGK2PGD
SCHEMBL6150390 0.81 TPI1 (0.46) PEPDTPI1LPAR3LPAR2PGK1
SCHEMBL12394924 0.79 TPI1 (0.35) TPI1LPAR3LPAR2LPAR1BTN3A1
SCHEMBL12394925 0.79 TPI1 (0.35) TPI1LPAR3LPAR2LPAR1BTN3A1
SCHEMBL632959 0.78 PEPD (0.34) PEPDPGK1PGK2
SCHEMBL3286421 0.78 ALDH1A1 (0.35)
SCHEMBL830037 0.78 PGK1 (0.42) PEPDTPI1LPAR3LPAR2LPAR1
SCHEMBL1831267 0.78 THRB (0.39) TPI1LPAR3LPAR2LPAR1
Itaconate SCHEMBL9419182 0.76 ALOX15 (0.41) PEPDLPAR3LPAR2LPAR1MVD
SCHEMBL1831246 0.76 THRB (0.38) LPAR3LPAR2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575276-B2 Biomimetic compounds and synthetic methods therefor KNC NER ACQUISITION SUB, INC. (US) 2013-11-05 US claimed
US-20120078296-A1 BIOMIMETIC COMPOUNDS AND SYNTHETIC METHODS THEREFOR KNC NER ACQUISITION SUB, INC. (US) 2012-03-29 US claimed
US-8030413-B2 Biomimetic compounds and synthetic methods therefor KNC NER ACQUISITION SUB, INC. (US) 2011-10-04 US claimed
US-7622533-B2 Biomimetic compounds and synthetic methods therefor NERITES CORPORATION (US) 2009-11-24 US claimed
EP-2277496-B1 Dental material containing surface-modified fillers IVOCLAR VIVADENT AG (LI) 2016-03-30 EP disclosed
US-8367748-B2 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2013-02-05 US disclosed
US-8198388-B2 One-part self-etching, self-priming dental adhesive composition DENTSPLY INTERNATIONAL INC. (US) 2012-06-12 US disclosed
US-8198388-B2 One-part self-etching, self-priming dental adhesive composition DENTSPLY INTERNATIONAL INC. (US) 2012-06-12 US disclosed
US-8198388-B2 One-part self-etching, self-priming dental adhesive composition DENTSPLY INTERNATIONAL INC. (US) 2012-06-12 US disclosed
EP-2277496-A1 Dental material containing surface-modified fillers Ivoclar Vivadent AG (LI) 2011-01-26 EP disclosed
US-20090076241-A1 BIOMIMETIC COMPOUNDS AND SYNTHETIC METHODS THEREFOR NERITES CORPORATION 2009-03-19 US disclosed
US-20070293642-A1 One-Part Self-Etching, Self-Priming Dental Adhesive Composition DENTSPLY DE TREY GMBH (DE) 2007-12-20 US disclosed
US-20070293642-A1 One-Part Self-Etching, Self-Priming Dental Adhesive Composition DENTSPLY DE TREY GMBH (DE) 2007-12-20 US disclosed
US-20070293642-A1 One-Part Self-Etching, Self-Priming Dental Adhesive Composition DENTSPLY DE TREY GMBH (DE) 2007-12-20 US disclosed
EP-1548021-B1 One-part self-etching, self-priming dental adhesive composition DENTSPLY DETREY GMBH (DE) 2007-03-21 EP disclosed
EP-1716836-A1 Surface-modified fillers Ivoclar Vivadent AG (LI) 2006-11-02 EP disclosed
US-20060247329-A1 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2006-11-02 US disclosed
WO-2005063778-A1 ONE-PART SELF-ETCHING, SELF-PRIMING DENTAL ADHESIVE COMPOSITION DENTSPLY DETREY GMBH (DE) 2005-07-14 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-20060247329-A1 Surface-modified fillers MSR1, HRH4, OR10J3 PEPD 4822/4885TPI1 3784/4885LPAR3 675/4885
US-20070293642-A1 One-Part Self-Etching, Self-Priming Dental Adhesive Composition CAD, ASIC1, PDAP1 PEPD 1469/4885TPI1 1446/4885LPAR3 2740/4885

“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.