SCHEMBL519242

SCHEMBL519242

O=C(c1ccc(OBOc2ccc(C(=O)N3CCOCC3)cc2)cc1)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.61
HPGD P15428 7/20 0.58
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 1/20 0.56
AKR1C3 P42330 1/20 0.55
HRH3 Q9Y5N1 1/20 0.54
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
EPHX2 P34913 1/20 0.53
KMT2A Q03164 2/20 0.53
DNMT1 P26358 1/20 0.53
PTPN7 P35236 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL18704510 0.89 PHGDH (0.59) PHGDHHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL4251838 0.85 HPGD (0.67) HPGDALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL10720943 0.84 PHGDH (0.81) PHGDHHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL6112281 0.83 HPGD (0.69) HPGDALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL15976788 0.82 PHGDH (0.63) PHGDHHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL9792247 0.82 HPGD (0.79) PHGDHHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL5115066 0.82 L3MBTL1 (0.72) HPGDALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL28284713 0.81 PHGDH (0.61) PHGDHHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL27771521 0.79 PHGDH (0.59) PHGDHHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL28296651 0.79 HPGD (0.86) PHGDHHPGDALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216432-A1 SULFONAMIDE DERIVATIVES AS STAT3 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES KING'S COLLEGE LONDON (GB) 2020-07-09 US disclosed
EP-3665164-A1 SULFONAMIDE DERIVATIVES AS STAT3 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES Kings College London (GB) 2020-06-17 EP disclosed
WO-2019030538-A1 SULFONAMIDE DERIVATIVES AS STAT3 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES KING'S COLLEGE LONDON (GB) 2019-02-14 WO disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
EP-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
US-20080004263-A1 Ligands of Follicle Stimulating Hormone Receptor and Methods of Use Thereof ARENA PHARMACEUTICALS, INC. 2008-01-03 US disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 WO disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 WO disclosed
EP-1805142-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-07-11 EP disclosed
WO-2006048331-A1 11β-HSD1 INHIBITORS EVOTEC AG (DE) 2006-05-11 WO disclosed
WO-2006034474-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO disclosed
WO-2005087765-A1 LIGANDS OF FOLLICLE STIMULATING HORMONE RECEPTOR AND METHODS OF USE THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-09-22 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 (6 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 PHGDH 3961/4885HPGD 3066/4885ALDH1A1 3748/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 PHGDH 1239/4885HPGD 842/4885ALDH1A1 1929/4885
US-20200216432-A1 SULFONAMIDE DERIVATIVES AS STAT3 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES JAK2, STAT3, STAT5A PHGDH 2107/4885HPGD 2688/4885ALDH1A1 1467/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 PHGDH 1239/4885HPGD 842/4885ALDH1A1 1929/4885
US-20080004263-A1 Ligands of Follicle Stimulating Hormone Receptor and Methods of Use Thereof FSHR, GNRHR, LHCGR PHGDH 4211/4885HPGD 1248/4885ALDH1A1 1620/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 PHGDH 2568/4885HPGD 3064/4885ALDH1A1 779/4885

“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.