SCHEMBL2948658

SCHEMBL2948658

COc1ccc(OC)c(S(=O)(=O)NCCC(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.76
ALDH1A1 P00352 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
L3MBTL3 Q96JM7 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
KMT2A Q03164 2/20 0.59
TSHR P16473 1/20 0.59
LMNA P02545 1/20 0.55
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL3203408 0.82 FABP4 (0.60) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL2677242 0.82 FABP4 (0.60) MAPTALDH1A1SMN1; SMN2L3MBTL3KMT2A
SCHEMBL20314704 0.81 L3MBTL3 (0.74) MAPTALDH1A1SMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL6527758 0.80 HSD17B10 (0.57) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL29306677 0.80 L3MBTL3 (0.66) MAPTALDH1A1SMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL13079743 0.80 SMN1; SMN2 (0.70) MAPTALDH1A1SMN1; SMN2L3MBTL3L3MBTL1
SCHEMBL2945763 0.79 ALDH1A1 (0.69) MAPTALDH1A1SMN1; SMN2KMT2ATSHR
SCHEMBL2941926 0.78 MAPK1 (0.65) ALDH1A1SMN1; SMN2KMT2ATSHRLMNA
SCHEMBL5960050 0.77 ALDH1A1 (0.77) MAPTALDH1A1SMN1; SMN2L3MBTL3KMT2A
SCHEMBL5960104 0.77 ALDH1A1 (1.00) MAPTALDH1A1SMN1; SMN2L3MBTL1KMT2A

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 MAPT 4489/4885ALDH1A1 136/4885SMN1; SMN2 1998/4885
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 MAPT 4429/4885ALDH1A1 129/4885SMN1; SMN2 1986/4885

“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.