SCHEMBL4996294

SCHEMBL4996294

COC(=O)C(Br)c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.54
KMT2A Q03164 3/20 0.51
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TAS1R3 Q7RTX0 3/20 0.48
TAS1R1 Q7RTX1 3/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL7332440 0.85 CYP3A4 (0.53) EDNRAKMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL22404286 0.84 EDNRA (0.56) EDNRAKMT2ACYP3A4TAS1R3TAS1R1
SCHEMBL1746047 0.83 PTGS2 (0.56) EDNRAKMT2ATAS1R3TAS1R1HPGD
SCHEMBL805660 0.83 EDNRA (0.55) EDNRAKMT2ACYP3A4TAS1R3TAS1R1
SCHEMBL14200154 0.83 CYP3A4 (0.49) KMT2ACYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL10204938 0.82 EDNRA (0.54) EDNRAKMT2ACYP3A4TAS1R3TAS1R1
SCHEMBL14032401 0.82 EDNRA (0.54) EDNRAKMT2ACYP3A4TAS1R3TAS1R1
SCHEMBL805662 0.82 EDNRA (0.54) EDNRAKMT2ACYP3A4TAS1R3TAS1R1
SCHEMBL7333176 0.81 MAPK9 (0.55) EDNRAKMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL12825470 0.81 EDNRA (0.56) EDNRAKMT2ATAS1R3TAS1R1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-20060229280-A1 Endothelin antagonists ABBVIE INC. 2006-10-12 US disclosed
US-6946481-B1 Endothelin antagonists ABBOTT LABORATORIES (US) 2005-09-20 US disclosed
EP-0901470-B1 INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS PFIZER (US) 2004-03-31 EP disclosed
CN-1384100-A Benzo-1,3-dioxole and benzofuran substituted pentazane derivative ABBOTT CO (US) 2002-12-11 CN disclosed
CN-1091768-C Novel benzo-1, 3-dioxolyl-and benzofuranyl-substituted pyrrolidine derivatives as endothelin antagonists ABBOTT LAB CO (US) 2002-10-02 CN disclosed
US-6384070-B2 RESTENOSIS, KIDNEY DISEASES, LUNG DISEASES PFIZER INC. 2002-05-07 US disclosed
US-6306852-B1 INDOLE DERIVATIVES USEFUL IN THE TREATMENT OF A VARIETY OF DISEASES INCLUDING RESTENOSIS, RENAL FAILURE AND PULMONARY HYPERTENSION, AND TO PHARMACEUTICAL FORMULATIONS CONTAINING SUCH COMPOUNDS. PFIZER INC. 2001-10-23 US disclosed
US-20010014677-A1 Restenosis, kidney diseases, lung diseases RAWSON DAVID JAMES (GB) 2001-08-16 US disclosed
US-6136843-A CARDIOVASCULAR DISORDERS; KIDNEY DISORDERS PFIZER INC (US) 2000-10-24 US disclosed
WO-1996004905-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-02-22 WO disclosed
US-5401745-A Cardiovascular disorders or hypotensive agents MERCK & CO., INC. (US) 1995-03-28 US disclosed
US-5391566-A An endothelin antagonist, hypotensive agents, antiinflammatory agents for treating cardiovascular disorders, kidney disorders , brain disorders, asthma MERCK & CO., INC. (US) 1995-02-21 US disclosed
WO-1995003044-A1 BENZIMIDAZOLINONES SUBSTITUTED WITH PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1995-02-02 WO disclosed
WO-1994021255-A1 SIX-MEMBERED RING FUSED IMIDAZOLES SUBSTITUTED WITH PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 WO disclosed
WO-1994021259-A1 QUINAZOLINONES SUBSTITUTED WITH PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 WO disclosed
WO-1994021590-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 WO disclosed
EP-0617001-A1 Phenoxyphenylacetic acid derivatives MERCK & CO. INC. (US) 1994-09-28 EP disclosed
US-5334598-A Have endothelin antagonist activity; useful in treating cardiovascular disorders, hypertension, inflammatory diseases and asthma MERCK & CO., INC. (US) 1994-08-02 US disclosed
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 US 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-20010014677-A1 Restenosis, kidney diseases, lung diseases NR1H2, NR1H3, NR1H4 EDNRA 102/4885KMT2A 3771/4885CYP3A4 1287/4885
US-20060229280-A1 Endothelin antagonists EDNRA, EDNRB, ECE1 EDNRA 1/4885KMT2A 3752/4885CYP3A4 594/4885

“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.