SCHEMBL1430902

SCHEMBL1430902

O=C(O)CC(Cc1ccccc1)C1=COCO1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.56
CPA1 P15085 2/20 0.45
CPA3 P15088 2/20 0.45
CPB1 P15086 1/20 0.45
CPB2 Q96IY4 1/20 0.45
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
PKM P14618 2/20 0.38
GAA P10253 1/20 0.38
LTA4H P09960 2/20 0.37
ALPI P09923 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37

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
SCHEMBL3563505 0.89 MIF (0.43) MIFCPA1CPA3CPB1CPB2
SCHEMBL15547346 0.89 MTNR1A (0.43) MIFCPA1CPA3CPB1CPB2
SCHEMBL5884516 0.85 MTNR1A (0.41) MIFMTNR1AMTNR1BKMT2AHPGD
SCHEMBL3748652 0.83 TRPA1 (0.40) MIFCPA3MTNR1AMTNR1BCYP1A2
SCHEMBL3561899 0.83 L3MBTL1 (0.41) MIFMTNR1AMTNR1BSMN1; SMN2
SCHEMBL1011206 0.82 MTNR1A (0.60) MIFMTNR1AMTNR1BKMT2APKM
SCHEMBL5073587 0.81 MIF (0.39) MIFCPA3MTNR1AMTNR1BKMT2A
SCHEMBL938718 0.80 EPHX1 (0.37) MIFPKMALPIPTGS1XIAP
SCHEMBL406396 0.80 MIF (0.39) MIFKMT2ACYP1A2HPGDSMN1; SMN2
SCHEMBL2466830 0.79 EPHX1 (0.55) MIFKMT2ACYP1A2PKMALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300010-B1 PYRAZINE DERIVATIVES AS EPITHELIAL SODIUM CHANNEL BLOCKERS NOVARTIS AG (CH) 2015-03-04 EP disclosed
US-8236808-B2 Pyrazine derivatives as ENAC blockers NOVARTIS AG (CH) 2012-08-07 US disclosed
EP-2188263-B1 BENZIMIDAZOLE DERIVATIVES USED AS FXR AGONISTS HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
EP-1756112-B1 PYRROLOBENZIMIDAZOLONES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS BOEHRINGER INGELHEIM INT (DE) 2011-10-26 EP disclosed
US-20110201625-A1 Organic Comopunds NOVARTIS AG (CH) 2011-08-18 US disclosed
EP-2300010-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-03-30 EP disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-7790904-B2 Substituted benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
US-7714010-B2 Pyrrolobenzimidazolones and their use as anti-proliferative agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
WO-2009150137-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 WO disclosed
US-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC 2004-09-09 US disclosed
US-6649657-B2 Administering amide to treat osteoporosis PFIZER INC. 2003-11-18 US disclosed
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLEY Q (US) 2003-06-05 US disclosed
US-6492412-B2 ADMINISTERING TO A MAMMAL A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND OF SULFONAMIDE OR ALKANOY OR AMIDE DERIVATIVE CONTAINING HETERO OR AROMATIC RINGS TO TREAT OSTEOPOROSIS, OSTEOTOMY, CHILDHOOD IDIOPATHIC BOEN LOSS ETC. PFIZER, INC. 2002-12-10 US disclosed
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLY O (US) 2002-02-07 US disclosed
US-6344485-B1 Method for treating glaucoma PFIZER INC. 2002-02-05 US disclosed
US-6288120-B1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. 2001-09-11 US disclosed
EP-1000619-A2 Method for treating glaucoma Pfizer Products Inc. (US) 2000-05-17 EP disclosed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 EP disclosed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 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-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 MIF 2027/4885CPA1 534/4885CPA3 280/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 MIF 2027/4885CPA1 534/4885CPA3 280/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 MIF 2027/4885CPA1 534/4885CPA3 280/4885
US-20110201625-A1 Organic Comopunds OR10J3, CFTR, CLIC1 MIF 4094/4885CPA1 3567/4885CPA3 2815/4885

“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.