SCHEMBL2949015

SCHEMBL2949015

O=C(O)CCNS(=O)(=O)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.57
ALDH1A1 P00352 4/20 0.54
HTT P42858 1/20 0.52
PKLR P30613 1/20 0.51
ATM Q13315 1/20 0.49
TBXA2R P21731 1/20 0.49
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL12916500 0.88 FABP4 (0.51) FABP4ALDH1A1PKLRATMTBXA2R
SCHEMBL11107098 0.86 ALDH1A1 (0.67) FABP4ALDH1A1HTTTBXA2RCA12
SCHEMBL7052844 0.82 ATM (0.54) FABP4ALDH1A1ATMTBXA2RL3MBTL1
SCHEMBL13189148 0.81 GSTO1 (0.55) ALDH1A1LMNATHRBL3MBTL1KDM4E
SCHEMBL2941286 0.81 FABP4 (0.57) FABP4ALDH1A1PKLRATMTBXA2R
SCHEMBL2006242 0.79 PKLR (0.56) FABP4ALDH1A1PKLRATMTBXA2R
SCHEMBL14398993 0.78 PKLR (0.49) FABP4ALDH1A1PKLRATMTBXA2R
SCHEMBL9850210 0.78 CA12 (0.59) ALDH1A1LMNAL3MBTL1CA12CA9
SCHEMBL9659233 0.78 ALDH1A1 (0.64) FABP4ALDH1A1TBXA2RCA12CA9
SCHEMBL23862588 0.78 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750005-B2 Substituted hexahydropyrazino [1,2-A] pyrimidine-4,7-dione derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-06 US disclosed
EP-1599480-B1 SUBSTITUTED HEXAHYDROPYRAZINO(1,2-A)PYRIMIDIN-4,7-DION DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-06-30 EP disclosed
US-20080221113-A1 SUBSTITUTED HEXAHYDROPYRAZINO [1,2-A] PYRIMIDINE-4,7-DIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-09-11 US disclosed
US-7390814-B2 Substituted hexahydropyrazino [1,2-a] pyrimidine-4,7-dione derivatives, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-06-24 US disclosed
CN-100363364-C Substituted hexahydropyrazino(1,2-a)pyrimidin-4,7-dion derivatives, method for the production and use thereof as medicaments AVENTIS PHARMA GMBH (DE) 2008-01-23 CN disclosed
CN-1751046-A Substituted hexahydropyrazino (1, 2-a) pyrimidine-4, 7-dione derivatives, method for the production thereof and use thereof as medicaments AVENTIS PHARMA GMBH (DE) 2006-03-22 CN disclosed
EP-1599480-A1 SUBSTITUTED HEXAHYDROPYRAZINO(1,2-A)PYRIMIDIN-4,7-DION DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
US-20050004131-A1 Substituted hexahydropyrazino (1,2-a) pyrimidine-4,7-dione derivatives, processes for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-06 US disclosed
WO-2004072076-A1 SUBSTITUTED HEXAHYDROPYRAZINO(1,2-A)PYRIMIDIN-4,7-DION DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 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-20080221113-A1 SUBSTITUTED HEXAHYDROPYRAZINO [1,2-A] PYRIMIDINE-4,7-DIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS DPYD, TYMP, DHPS FABP4 3411/4885ALDH1A1 136/4885HTT 3594/4885
US-20050004131-A1 Substituted hexahydropyrazino (1,2-a) pyrimidine-4,7-dione derivatives, processes for their preparation and their use as medicaments DPYD, TYMP, G6PD FABP4 3313/4885ALDH1A1 129/4885HTT 3534/4885

“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.