SCHEMBL7561073

SCHEMBL7561073

COc1ccc(C2c3ccccc3C(c3ccc(N)cc3)C2C(=O)O)cc1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 12/20 0.86
EDNRB P24530 10/20 0.86
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAOA P21397 1/20 0.42
PTGS2 P35354 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
POLB P06746 1/20 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
SCHEMBL8676241 0.93 EDNRA (1.00) EDNRAEDNRBFABP7FABP5ALDH1A1
SCHEMBL7586067 0.93 EDNRA (1.00) EDNRAEDNRBFABP7FABP5ALDH1A1
SCHEMBL7586070 0.93 EDNRA (1.00) EDNRAEDNRBFABP7FABP5ALDH1A1
SCHEMBL7586063 0.93 EDNRA (1.00) EDNRAEDNRBFABP7FABP5ALDH1A1
SCHEMBL7589806 0.93 EDNRA (1.00) EDNRAEDNRBFABP7FABP5ALDH1A1
SCHEMBL7532959 0.91 EDNRA (1.00) EDNRAEDNRBFABP7FABP5ALDH1A1
SCHEMBL7538261 0.87 EDNRA (0.88) EDNRAEDNRBFABP7FABP5ALDH1A1
SCHEMBL27453264 0.87 EDNRA (0.64) EDNRAEDNRBFABP7FABP5TDP1
SCHEMBL7561325 0.82 EDNRA (0.79) EDNRAEDNRBALDH1A1NPC1RAB9A
SCHEMBL6950474 0.82 EDNRA (0.74) EDNRAEDNRBALDH1A1NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448260-B2 3-(2-CARBOXYMETHOXY-4-METHOXYPHENYL)-1-(3,4-METHYLENEDIOXY -PHENYL)-5-(PROP-1-YLOXY)-INDANE-2-CARBOXYLIC ACID AS AN ESPECIALLY PREFERRED COMPOUND; HYPOTENSIVE AGENTS; CARDIOVASCULAR, UROGENITAL AND RESPIRATORY DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-09-10 US disclosed
US-20020002177-A1 Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-01-03 US disclosed
EP-0612244-B1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-09-19 EP disclosed
US-6274737-B1 CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-08-14 US disclosed
US-6271399-B1 METHYL 3-(3,4-METHYLENEDIOXYPHENYL)-6-(PROP-1-YLOXY)-INDANE-2-CARBOXYLATE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-08-07 US disclosed
US-6087389-A TREATING CARDIOVASCULAR AND RENAL DISEASES INCLUDING HYPERTENSION, ACUTE AND CHRONIC RENAL FAILURE, CYCLOSPORINE INDUCED NEPHROTOXICITY, STROKE, CEREBROVASCULAR VASOSPASM, MYOCARDIAL ISCHEMIA, ANGINA, HEART FAILURE, ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-11 US disclosed
US-5719183-A HYPOTENSIVE AGENTS; KIDNEY DISEASES; ANTIISCHEMIC AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed
US-5719182-A TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-17 US disclosed
US-5716984-A INDANE AND INDENE DERIVATIVES; TREATMENT OF CARDIOVASCULAR DISORDERS, KIDNEY DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-10 US disclosed
WO-1993008799-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-13 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 (1 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-20020002177-A1 Endothelin receptor antagonists EDNRA, EDNRB, ECE1 EDNRA 1/4885EDNRB 2/4885FABP7 419/4885

“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.