SCHEMBL628822

SCHEMBL628822

COC(=O)C(Oc1ccccc1OC)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CTSD P07339 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL29770500 1.00 KMT2A (0.58) KMT2AMTNR1AMTNR1BCA12CA1
SCHEMBL13430584 0.90 KMT2A (0.47) KMT2AMTNR1AMTNR1BCA12CA1
SCHEMBL26022358 0.88 KMT2A (0.50) KMT2AMTNR1AMTNR1BCA12CA1
SCHEMBL628126 0.84 KMT2A (0.53) KMT2AMTNR1AMTNR1BCA12CA1
SCHEMBL16080704 0.82 KMT2A (0.59) KMT2AMTNR1AMTNR1BCA12CA1
SCHEMBL27991552 0.82 KMT2A (0.59) KMT2AMTNR1AMTNR1BCA12CA1
SCHEMBL628528 0.82 KMT2A (0.70) KMT2AMTNR1AMTNR1BCA12CA1
SCHEMBL7335121 0.82 L3MBTL1 (0.53) KMT2ALMNAKDM4EALDH1A1NPSR1
SCHEMBL13430563 0.82 MTNR1A (0.41) KMT2AMTNR1AMTNR1BKDM4EHSD17B10
SCHEMBL21618150 0.81 ALDH1A1 (0.50) KMT2ASMN1; SMN2POLBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907275-A Preparation method of bosentan 武汉工程大学 2022-08-16 CN claimed
US-20120136015-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) SANDOZ AG (CH) 2012-05-31 US claimed
EP-2419421-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) Sandoz AG (CH) 2012-02-22 EP claimed
WO-2010118992-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) SANDOZ AG (CH) 2010-10-21 WO claimed
US-12570625-B2 3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2026-03-10 US disclosed
EP-4306111-A2 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF Novartis AG (CH) 2024-01-17 EP disclosed
EP-3820573-B1 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF IKAROS FAMILY ZINC FINGER 2 (IKZF2)-DEPENDENT DISEASES NOVARTIS AG (CH) 2023-08-09 EP disclosed
US-20230067476-A1 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2023-03-02 US disclosed
US-20230067476-A1 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2023-03-02 US disclosed
CN-114907275-A Preparation method of bosentan 武汉工程大学 2022-08-16 CN disclosed
US-11192877-B2 3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2021-12-07 US disclosed
US-11192877-B2 3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2021-12-07 US disclosed
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP disclosed
WO-2001017976-A1 BIS-SULFONAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2001-03-15 WO disclosed
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP disclosed
US-5837708-A CARDIOVASCULAR DISORDERS OF HYPERTENSION, ISCHEMIA, ANGINA PECTORIS AND VASOSPASMS HOFFMANN-LA ROCHE INC. (US) 1998-11-17 US disclosed
EP-0713875-A1 Sulfonamides F. Hoffmann-La Roche AG (CH) 1996-05-29 EP disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 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 (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-12570625-B2 3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof IKZF1, IKZF2, BCL6 KMT2A 735/4885MTNR1A 3283/4885MTNR1B 3637/4885
US-11192877-B2 3-(5-hydroxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof XDH, HTR1D, RXFP1 KMT2A 2490/4885MTNR1A 256/4885MTNR1B 384/4885
US-20230067476-A1 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF XDH, HTR1D, RXFP1 KMT2A 2490/4885MTNR1A 256/4885MTNR1B 384/4885
US-20120136015-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) EDNRA, EDNRB, TBXA2R KMT2A 3799/4885MTNR1A 380/4885MTNR1B 301/4885

“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.