SCHEMBL3384819

SCHEMBL3384819

CC(C(=O)O)C1(C)OCCO1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 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
SCHEMBL9313086 0.83
SCHEMBL712819 0.78 TSHR (0.30)
SCHEMBL20299840 0.74 SLC1A2 (0.41)
SCHEMBL20299839 0.74 SLC1A2 (0.41)
SCHEMBL3384488 0.73 CYP3A4 (0.38) ALDH1A1RAB9A
SCHEMBL2160390 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL712733 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9840033 0.69
SCHEMBL6848903 0.68 TSHR (0.42)
SCHEMBL18526694 0.68 ALDH1A1 (0.37) TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2663311-A2 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2013-11-20 EP disclosed
US-20130303551-A1 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-11-14 US disclosed
US-20130303551-A1 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-11-14 US disclosed
WO-2012096928-A2 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-07-19 WO disclosed
EP-1615897-B1 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMA INC (US) 2010-11-24 EP disclosed
EP-1615897-B1 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMA INC (US) 2010-11-24 EP disclosed
US-7491728-B2 Pyrimidinone compounds as calcilytics SMITHKLINE BEECHAM CORP. (US) 2009-02-17 US disclosed
US-7491728-B2 Pyrimidinone compounds as calcilytics SMITHKLINE BEECHAM CORP. (US) 2009-02-17 US disclosed
US-7491728-B2 Pyrimidinone compounds as calcilytics SMITHKLINE BEECHAM CORP. (US) 2009-02-17 US disclosed
EP-1613606-A4 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMA INC (US) 2008-12-03 EP disclosed
US-20070197555-A1 Pyrimidinone Compounds As Calcilytics GLAXOSMITHKLINE LLC 2007-08-23 US disclosed
US-20070197555-A1 Pyrimidinone Compounds As Calcilytics GLAXOSMITHKLINE LLC 2007-08-23 US disclosed
US-20070161792-A1 Methods for preparing 2,3,5,6-substituted 3h-pyrimidin-4-ones NPS PHARMACUETICALS, INC (US) 2007-07-12 US disclosed
US-20070161792-A1 Methods for preparing 2,3,5,6-substituted 3h-pyrimidin-4-ones NPS PHARMACUETICALS, INC (US) 2007-07-12 US disclosed
US-20070161792-A1 Methods for preparing 2,3,5,6-substituted 3h-pyrimidin-4-ones NPS PHARMACUETICALS, INC (US) 2007-07-12 US disclosed
CN-1835928-A Pyrimidone compounds as calcium-sensitive receptor antagonists NPS PHARMA INC (US) 2006-09-20 CN disclosed
EP-1615897-A2 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-01-18 EP disclosed
EP-1613606-A2 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
WO-2004092121-A2 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed
WO-2004092120-A2 PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2004-10-28 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 (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-20130303551-A1 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS FASN, FPGS, DHPS TP53 1789/4885ALDH1A1 349/4885RAB9A 3671/4885
US-20070197555-A1 Pyrimidinone Compounds As Calcilytics TYMP, DPYD, UMPS TP53 3842/4885ALDH1A1 2151/4885RAB9A 1814/4885
US-20070161792-A1 Methods for preparing 2,3,5,6-substituted 3h-pyrimidin-4-ones TYMP, DPYD, DHFR TP53 3248/4885ALDH1A1 972/4885RAB9A 3220/4885

“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.