SCHEMBL1367013

SCHEMBL1367013

O=C(CBr)c1ccc(CO)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.53
GSK3B P49841 11/20 0.46
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GNG2 P59768 1/20 0.38
GNB1 P62873 1/20 0.38
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL6180855 0.86 PTPN1 (0.53) PTPN1GSK3BGNG2GNB1MAPT
SCHEMBL29628387 0.81 PTPN1 (0.61) PTPN1GSK3BCES2CES1
SCHEMBL366866 0.81 PTPN1 (0.61) PTPN1GSK3BCES2CES1
SCHEMBL7513592 0.79 EPHX2 (0.51) CES2CES1MAPTEPHX2NR1H4
SCHEMBL16140755 0.79 GSK3B (0.54) PTPN1GSK3BMAPTEPHX2
SCHEMBL16140760 0.79 GSK3B (0.53) PTPN1GSK3BGNG2GNB1PKM
SCHEMBL17088949 0.78 CYP19A1 (0.39) CES2CES1PKMMAPTEPHX2
SCHEMBL2953875 0.78 PTPN1 (0.57) PTPN1GSK3BCES2CES1
SCHEMBL29471126 0.78 PTPN1 (0.57) PTPN1GSK3B
SCHEMBL1701124 0.78 PTPN1 (0.57) PTPN1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069327-B1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2013-10-16 EP disclosed
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-8067590-B2 Melanin-concentrating hormone (MCH) receptor antagonists; treating obesity, eating disorders, affective disorders, drug dependency; compounds are amino-functional pyridazin-3-one, 1H-pyridin-2-one or 3H-pyrimidin-4-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
EP-2383259-A1 New pyridone derivatives with MCH antagonistic activity and medicaments comprising these compounds Boehringer Ingelheim International GmbH (DE) 2011-11-02 EP disclosed
WO-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO disclosed
EP-2069327-A1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-06-17 EP disclosed
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 US disclosed
WO-2008022979-A1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 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 (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-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 PTPN1 1415/4885GSK3B 2680/4885CES2 3850/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 PTPN1 1415/4885GSK3B 2680/4885CES2 3850/4885

“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.