SCHEMBL1645904

SCHEMBL1645904

OC1=C(O)Oc2c(ccc(O)c2O)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.42
PSMB5 P28074 1/20 0.36
GNG2 P59768 1/20 0.36
GNB1 P62873 1/20 0.36
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
PTPN11 Q06124 1/20 0.34
POLB P06746 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
SMAD3 P84022 1/20 0.33
AKT1 P31749 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
SCHEMBL11477205 0.78 PSMB5 (0.43) MAPKAPK2PSMB5GNG2GNB1SMAD3
SCHEMBL6615687 0.69 MAPKAPK2 (0.39) MAPKAPK2POLBPTGS1PTGS2
SCHEMBL10633407 0.69 GNG2 (0.40) MAPKAPK2PSMB5GNG2GNB1ALOX15
SCHEMBL10885614 0.68 PARP1 (0.43) PSMB5GNG2GNB1ALOX15ALOX12
SCHEMBL28588513 0.68 PSMB5 (0.42) PSMB5GNG2GNB1PTPN11POLB
SCHEMBL6616962 0.68 MAPKAPK2 (0.35) MAPKAPK2ALOX15ALOX12PTGS1PTGS2
SCHEMBL10807822 0.67
SCHEMBL2418922 0.64 MAOA (0.60) MAPKAPK2
SCHEMBL6905745 0.62 CA1 (0.36) ALOX15
SCHEMBL6507292 0.62 ALDH1A1 (0.48) MAPKAPK2ALOX15POLBPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3411063-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR ENHANCING CD8+ T CELL-DEPENDENT IMMUNE RESPONSES IN SUBJECTS SUFFERING FROM CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2018-12-12 EP disclosed
US-10130637-B2 Inhibition of histone methyltransferase for cardiac reprogramming DUKE UNIVERSITY (US) 2018-11-20 US disclosed
WO-2017134116-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR ENHANCING CD8+ T CELL-DEPENDENT IMMUNE RESPONSES IN SUBJECTS SUFFERING FROM CANCER INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-08-10 WO disclosed
US-20150297611-A1 Inhibition of Histone Methyltransferase for Cardiac Reprogramming DUKE UNIVERSITY 2015-10-22 US disclosed
EP-2914298-A2 INHIBITION OF HISTONE METHYLTRANSFERASE FOR CARDIAC REPROGRAMMING Duke University (US) 2015-09-09 EP disclosed
WO-2014071323-A2 INHIBITION OF HISTONE METHYLTRANSFERASE FOR CARDIAC REPROGRAMMING DUKE UNIVERSITY (US) 2014-05-08 WO disclosed
US-8003698-B2 Site-specific inhibitors of histone methyltransferase (HMTASE) and process of preparation thereof JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2011-08-23 US disclosed
US-20110087043-A1 Site-Specific Inhibitors of Histone Methyltransferase (HMTASE) and Process of Preparation Thereof JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH 2011-04-14 US disclosed
EP-2303252-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC SYNDROME AND INSULIN RESISTANCE Jungbauer, Alois (AT) 2011-04-06 EP disclosed
US-20100292498-A1 Site-Specific Inhibitors of Histone Methyltransferase [HMTASE] and Process of Preparation Thereof JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2010-11-18 US disclosed
WO-2009137859-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC SYNDROME AND INSULIN RESISTANCE JUNGBAUER ALOIS (AT) 2009-11-19 WO disclosed
EP-2038247-A2 SITE-SPECIFIC INHIBITORS OF HISTONE METHYLTRANSFERASE [HMTASE] AND PROCESS OF PREPARATION THEREOF Jawaharlal Nehru Centre for Advanced Scientific Research (IN) 2009-03-25 EP disclosed
WO-2008001391-A2 SITE-SPECIFIC INHIBITORS OF HISTONE METHYLTRANSFERASE [HMTASE] AND PROCESS OF PREPARATION THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2008-01-03 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 (4 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-20110087043-A1 Site-Specific Inhibitors of Histone Methyltransferase (HMTASE) and Process of Preparation Thereof EHMT1, DOT1L, CARM1 MAPKAPK2 3150/4885PSMB5 1238/4885GNG2 3254/4885
US-20100292498-A1 Site-Specific Inhibitors of Histone Methyltransferase [HMTASE] and Process of Preparation Thereof EHMT1, DOT1L, EHMT2 MAPKAPK2 3124/4885PSMB5 1394/4885GNG2 2931/4885
US-10130637-B2 Inhibition of histone methyltransferase for cardiac reprogramming EHMT2, EHMT1, DOT1L MAPKAPK2 684/4885PSMB5 2610/4885GNG2 2865/4885
US-20150297611-A1 Inhibition of Histone Methyltransferase for Cardiac Reprogramming EHMT2, EHMT1, DOT1L MAPKAPK2 684/4885PSMB5 2610/4885GNG2 2865/4885

“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.