SCHEMBL628126

SCHEMBL628126

CCOC(=O)C(Oc1ccccc1OC)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.49
LMNA P02545 3/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
PLIN1 O60240 1/20 0.49
PLIN5 Q00G26 1/20 0.49
ABHD5 Q8WTS1 1/20 0.49
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL72839 0.92 MTNR1A (0.49) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL3228799 0.92 KMT2A (0.57) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL6839231 0.89 KMT2A (0.50) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL14026722 0.89 KMT2A (0.41) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL9205212 0.86 ALDH1A1 (0.50) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL9204703 0.86 L3MBTL1 (0.54) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL5207376 0.85 KMT2A (0.65) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL7323723 0.84 TDP1 (0.56) KMT2AMEN1CYP1A2KDM4ETDP1
SCHEMBL29770500 0.84 KMT2A (0.58) KMT2ALMNAPOLBMTNR1AMTNR1B
SCHEMBL628822 0.84 KMT2A (0.58) KMT2ALMNAPOLBMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898208-B Phenylpyrimidine amine antitumor compound and preparation method and application thereof 中国医科大学 2023-06-20 CN claimed
CN-112778215-B 2-methoxyphenoxypyrimidine antitumor compound and preparation method and application thereof 中国医科大学 2023-06-20 CN claimed
CN-112898208-A Phenyl pyrimidinamine antitumor compound and preparation method and application thereof 中国医科大学 2021-06-04 CN claimed
CN-112778215-A 2-methoxyphenoxy pyrimidine antitumor compound and preparation method and application thereof 中国医科大学 2021-05-11 CN claimed
US-20110263623-A1 PROCESS FOR PREPARATION OF BOSENTAN CADILA HEALTHCARE LIMITED (IN) 2011-10-27 US claimed
EP-2331513-A1 PROCESS FOR PREPARATION OF BOSENTAN Cadila Healthcare Limited (IN) 2011-06-15 EP claimed
EP-2240470-A2 IMPROVED AND NOVEL PROCESS FOR THE PREPARATION OF BOSENTAN MSN Laboratories Limited (IN) 2010-10-20 EP claimed
WO-2010032261-A1 PROCESS FOR PREPARATION OF BOSENTAN CADILA HEALTHCARE LIMITED (IN) 2010-03-25 WO claimed
WO-2009095933-A2 IMPROVED AND NOVEL PROCESS FOR THE PREPARATION OF BOSENTAN MSN LABORATORIES LIMITED (IN) 2009-08-06 WO claimed
EP-0841326-B1 Process for the preparation of pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2001-05-16 EP claimed
CN-112898208-B Phenylpyrimidine amine antitumor compound and preparation method and application thereof 中国医科大学 2023-06-20 CN disclosed
CN-112778215-B 2-methoxyphenoxypyrimidine antitumor compound and preparation method and application thereof 中国医科大学 2023-06-20 CN disclosed
CN-112898208-A Phenyl pyrimidinamine antitumor compound and preparation method and application thereof 中国医科大学 2021-06-04 CN disclosed
CN-112778215-A 2-methoxyphenoxy pyrimidine antitumor compound and preparation method and application thereof 中国医科大学 2021-05-11 CN disclosed
US-20140275535-A1 ACID ADDITION SALTS OF BOSENTAN BIOCON LIMITED (IN) 2014-09-18 US disclosed
EP-0743307-A1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1996-11-20 EP disclosed
US-5273993-A Antiarthritic agents; osteoporosis A. H. ROBINS COMPANY, INCORPORATED (US) 1993-12-28 US disclosed
US-5194446-A Antiarthritic agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-16 US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed
US-5025031-A Aryl and aryloxyalkyl sulfamate esters useful as anticonvulsants A. H. ROBINS CO., INC. (US) 1991-06-18 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-20110263623-A1 PROCESS FOR PREPARATION OF BOSENTAN CYP2D6, CYP3A5, QDPR KMT2A 3992/4885MEN1 4576/4885LMNA 2768/4885
US-20140275535-A1 ACID ADDITION SALTS OF BOSENTAN NCLN, EDNRB, EDNRA KMT2A 4488/4885MEN1 1547/4885LMNA 3294/4885

“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.