SCHEMBL6866628

SCHEMBL6866628

CCOc1nc2cccc(C(=O)O)c2n1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.54
AGTR1 P30556 3/20 0.49
ABCB11 O95342 1/20 0.49
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2C9 P11712 1/20 0.49
ADRB3 P13945 1/20 0.49
ADRA2B P18089 1/20 0.49
SLC6A2 P23975 1/20 0.49
TBXAS1 P24557 1/20 0.49
HTR2C P28335 1/20 0.49
PPARG P37231 1/20 0.49
HTR2B P41595 1/20 0.49
AGTR2 P50052 1/20 0.49
PDE3A Q14432 1/20 0.49
LTB4R2 Q9NPC1 1/20 0.49
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL21125120 0.86 TSHR (0.47) DHODHCYP3A4ADORA3CYP2C9TBXAS1
SCHEMBL25963850 0.85 AGTR1 (0.48) DHODHAGTR1ABCB11EGFRERBB2
SCHEMBL30206716 0.84 AGTR1 (0.48) DHODHAGTR1ABCB11EGFRERBB2
SCHEMBL21125116 0.83 AGTR1 (0.47) DHODHAGTR1ABCB11EGFRERBB2
SCHEMBL5319554 0.80 AGTR1 (0.52) DHODHAGTR1ABCB11EGFRERBB2
SCHEMBL22533560 0.78 AGTR1 (0.62) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL8265591 0.77 AGTR1 (0.64) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL4244121 0.75 AGTR1 (0.61) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL3975959 0.75 AGTR1 (0.75) AGTR1ABCB11EGFRERBB2CYP3A4
SCHEMBL3945157 0.73 AGTR1 (0.46) DHODHAGTR1ABCB11EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480224-B1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF MCP-1 MEDIATED INFLAMMATORY DISEASES ACRAF (IT) 2017-05-24 EP disclosed
US-9492542-B2 Pharmaceutical composition for the treatment of MCP-1 mediated inflammatory diseases AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-11-15 US disclosed
US-8569528-B2 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS AG (CH) 2013-10-29 US disclosed
US-8569528-B2 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS AG (CH) 2013-10-29 US disclosed
US-20120330026-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2012-12-27 US disclosed
US-20120330026-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2012-12-27 US disclosed
US-20120220636-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF MCP-1 MEDIATED INFLAMMATORY DISEASES AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F.S.P.A. (IT) 2012-08-30 US disclosed
US-20110184187-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES SEDELMEIER GOTTFRIED 2011-07-28 US disclosed
US-20110184187-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES SEDELMEIER GOTTFRIED 2011-07-28 US disclosed
US-7943647-B2 Process for the preparation of tetrazole derivatives from organo aluminium azides NOVARTIS AG (CH) 2011-05-17 US disclosed
US-7345072-B2 Phenyltetrazole compounds DIPHARMA S.P.A. (IT) 2008-03-18 US disclosed
US-7345072-B2 Phenyltetrazole compounds DIPHARMA S.P.A. (IT) 2008-03-18 US disclosed
US-7307096-B2 Combined agents for treatment of glaucoma SANKYO COMPANY, LIMITED (JP) 2007-12-11 US disclosed
EP-1555260-B1 Phenyltetrazole compounds DIPHARMA FRANCIS SRL (IT) 2007-09-19 EP disclosed
US-20070093540-A1 PROCESS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTIC COMPOUNDS DIPHARMA S.P.A. (IT) 2007-04-26 US disclosed
US-20070093540-A1 PROCESS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTIC COMPOUNDS DIPHARMA S.P.A. (IT) 2007-04-26 US disclosed
US-20070043098-A1 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS PHARMACEUTICALS CORPORATION 2007-02-22 US disclosed
WO-2005020971-A1 USE OF AN ANGIOTENSIN II ANTAGONIST FOR THE PREVENTION OF MYOCARDIAL INFARCTION ASTRAZENECA AB (SE) 2005-03-10 WO disclosed
WO-2005014602-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2005-02-17 WO disclosed
WO-2004087136-A1 USE OF ATII ANTAGONIST FOR THE TREATMENT OR PREVENTION OF METABOLIC SYNDROME ASTRAZENECA AB (SE) 2004-10-14 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 (5 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-20070043098-A1 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides ABL1, TBCA, TBC1D5 DHODH 2211/4885AGTR1 2005/4885ABCB11 1648/4885
US-20120330026-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES ABL1, TBCA, TBC1D5 DHODH 2211/4885AGTR1 2005/4885ABCB11 1648/4885
US-20110184187-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES ABL1, TBCA, TBC1D5 DHODH 2211/4885AGTR1 2005/4885ABCB11 1648/4885
US-20120220636-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF MCP-1 MEDIATED INFLAMMATORY DISEASES ACE, ACE2, CCL11 DHODH 3664/4885AGTR1 6/4885ABCB11 293/4885
US-20070093540-A1 PROCESS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTIC COMPOUNDS AGTR2, AGTR1, ACE2 DHODH 656/4885AGTR1 2/4885ABCB11 4043/4885

“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.