SCHEMBL915104

SCHEMBL915104

CCC(C)OP(=O)(O)Cc1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.40
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
PGK1 P00558 3/20 0.36
PGK2 P07205 3/20 0.36
PPID Q08752 2/20 0.35
PPIB P23284 1/20 0.35
PPIA P62937 1/20 0.35
PPIG Q13427 1/20 0.35
ENPP2 Q13822 1/20 0.34
CYP3A4 P08684 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAOA P21397 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL915165 0.86 ESR1 (0.38) PGK1PGK2ENPP2CYP3A4LMNA
SCHEMBL915243 0.86 PGK1 (0.37) PGK1PGK2ENPP2LMNANPC1
SCHEMBL8920661 0.85 FDPS (0.38) FDPSANPEPERAP2MAOACYP2C19
SCHEMBL917066 0.84 HTT (0.37) FDPSPGK1PGK2CYP3A4CYP1A2
SCHEMBL4633893 0.84 TRPA1 (0.40) PGK1PGK2ENPP2LMNAALDH1A1
SCHEMBL1760139 0.84 PGK1 (0.36) PGK1PGK2ENPP2CYP3A4CYP1A2
SCHEMBL1334895 0.84 FPR2 (0.38) PGK1PGK2ENPP2CYP3A4LMNA
SCHEMBL1407856 0.84 TRPA1 (0.42) ANPEPCYP1A2TSHR
SCHEMBL914038 0.83 ANPEP (0.44) ANPEPERAP2CYP1A2NPC1RAB9A
SCHEMBL915768 0.82 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP disclosed
EP-2019834-B1 ECTONUCLEOTIDASE INHIBITORS UNIV BONN (DE) 2014-07-09 EP disclosed
US-8673882-B2 Inhibitors of autotaxin UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-03-18 US disclosed
US-8383824-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2013-02-26 US disclosed
EP-2501679-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-09-26 EP disclosed
WO-2012100018-A1 INHIBITORS OF AUTOTAXIN UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-07-26 WO disclosed
US-20120190650-A1 Inhibitors of Autotaxin UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-07-26 US disclosed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US disclosed
WO-2011061243-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-26 WO disclosed
US-20110123489-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-05-26 US disclosed
EP-1937652-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
EP-1932867-A1 POLYESTER, PROCESS FOR PRODUCTION OF POLYESTER, AND POLYESTER MOLDED ARTICLE Toyo Boseki Kabushiki Kasisha (JP) 2008-06-18 EP disclosed
WO-2007135195-A1 ECTONUCLEOTIDASE INHIBITORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-29 WO disclosed
EP-1842868-A1 PROCESS FOR PRODUCING POLYESTER, POLYESTER PRODUCED USING SAID PROCESS, AND POLYESTER MOLDED PRODUCT Toyo Boseki Kabushiki Kasisha (JP) 2007-10-10 EP disclosed
EP-1803780-A1 Contrast dyes for inkjet lithographic printing plates Agfa Graphics N.V. (BE) 2007-07-04 EP disclosed
WO-2007071552-A2 CONTRAST DYES FOR INKJET LITHOGRAPHIC PRINTING PLATES AGFA GRAPHICS NV (BE) 2007-06-28 WO disclosed
WO-2007071550-A1 INKJET INK FOR PREPARING LITHOGRAPHIC PRINTING PLATES AND METHOD FOR THEIR PREPARATION AGFA GRAPHICS NV (BE) 2007-06-28 WO disclosed
EP-1801170-A1 Inkjet ink for preparing lithographic printing plates and method for their preparation Agfa Graphics N.V. (BE) 2007-06-27 EP disclosed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 WO disclosed
US-5670493-A ANGIOGENESIS INHIBITORS ADIR ET COMPAGNIE (FR) 1997-09-23 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 (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-20110123489-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HCCS, EIF2AK2, RNASE1 FDPS 735/4885ANPEP 1536/4885ERAP2 2230/4885
US-20120190650-A1 Inhibitors of Autotaxin ENPP2, PHPT1, PSPH FDPS 1877/4885ANPEP 469/4885ERAP2 1279/4885

“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.