SCHEMBL7339368

SCHEMBL7339368

CCCc1cc(C(=O)OC)ccc1OC(C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.61
EDNRB P24530 4/20 0.61
PPARG P37231 6/20 0.53
PPARA Q07869 6/20 0.53
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK9 P45984 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42

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
SCHEMBL8903642 0.99 EDNRA (0.60) EDNRAEDNRBPPARGPPARAALDH1A1
SCHEMBL8789773 0.91 EDNRA (0.58) EDNRAEDNRBPPARGPPARAALDH1A1
SCHEMBL8903647 0.91 EDNRA (0.60) EDNRAEDNRBPPARGPPARAALDH1A1
SCHEMBL7329622 0.90 EDNRA (0.57) EDNRAEDNRBPPARGPPARAALDH1A1
SCHEMBL7338441 0.90 EDNRA (0.60) EDNRAEDNRBPPARGPPARAALDH1A1
SCHEMBL7337968 0.88 EDNRA (0.50) EDNRAEDNRBALDH1A1MAPTTSHR
SCHEMBL7341430 0.87 PPARG (0.49) EDNRAEDNRBPPARGPPARAALDH1A1
SCHEMBL7330600 0.85 EDNRA (0.77) EDNRAEDNRBPPARGPPARA
SCHEMBL8904044 0.85 EDNRA (0.55) EDNRAEDNRBPPARGPPARAKMT2A
SCHEMBL7339477 0.84 EDNRA (0.59) EDNRAEDNRBALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617001-B1 Phenoxyphenylacetic acid derivatives MERCK & CO INC (US) 2000-01-26 EP claimed
WO-1996009818-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS MERCK & CO., INC. (US) 1996-04-04 WO claimed
US-20230039319-A1 DEUTERIUM-ENRICHED SUBSTITUTED PHENOXYPHENYL ACETIC ACIDS AND ACYLSULFONAMIDES DHANOA DALJIT SINGH (US) 2023-02-09 US disclosed
WO-2021118826-A1 DEUTERIUM-ENRICHED SUBSTITUTED PHENOXYPHENYL ACETIC ACIDS AND ACYLSULFONAMIDES DHANOA DALJIT (US) 2021-06-17 WO disclosed
EP-0617001-B1 Phenoxyphenylacetic acid derivatives MERCK & CO INC (US) 2000-01-26 EP disclosed
US-5767310-A Phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1998-06-16 US disclosed
US-5668176-A ENDOTHELIN ANTAGONIST MERCK & CO. INC. (US) 1997-09-16 US disclosed
US-5565485-A TREATING CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1996-10-15 US disclosed
US-5559135-A TREATMENT OF CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS OR ANTIASTHMATICS MERCK & CO., INC. (US) 1996-09-24 US disclosed
US-5538991-A TREATMENT OF HYPERTENSION, CARDIOVASCULAR DISORDERS, PROSTATE HYPERPLASIA OR ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1996-07-23 US disclosed
WO-1996009818-A1 ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS MERCK & CO., INC. (US) 1996-04-04 WO disclosed
WO-1996008487-A1 ENDOTHELIN ANTAGONISTS BEARING PYRIDYL AMIDES MERCK & CO., INC. (US) 1996-03-21 WO disclosed
WO-1996004905-A1 PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1996-02-22 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

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-20230039319-A1 DEUTERIUM-ENRICHED SUBSTITUTED PHENOXYPHENYL ACETIC ACIDS AND ACYLSULFONAMIDES AGTR2, AGTR1, EDNRA EDNRA 3/4885EDNRB 4/4885PPARG 148/4885

“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.