SCHEMBL1940968

SCHEMBL1940968

CCC(C)OC(=O)C(Oc1ccccc1OC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MAPT P10636 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3228799 0.82 KMT2A (0.57) KMT2AMAPTMTNR1AMTNR1BPOLB
SCHEMBL628528 0.80 KMT2A (0.70) KMT2AMTNR1AMTNR1BPOLBSMN1; SMN2
SCHEMBL3407197 0.79 MCHR1 (0.46) MAPTMTNR1AMTNR1B
SCHEMBL2673224 0.77 ALDH1A1 (0.46) KMT2AMAPTPOLBTSHRCYP1A2
SCHEMBL9451283 0.77 MAPT (0.54) KMT2AMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL4015952 0.75 MAPT (0.46) KMT2AMAPTPOLBSMN1; SMN2HTT
SCHEMBL8935639 0.74 KMT2A (0.62) KMT2AMTNR1AMTNR1BPOLBSMN1; SMN2
SCHEMBL4650644 0.74 KMT2A (0.62) KMT2AMTNR1AMTNR1BPOLBSMN1; SMN2
SCHEMBL628126 0.74 KMT2A (0.53) KMT2AMAPTMTNR1AMTNR1BPOLB
SCHEMBL6975828 0.74 XDH (0.42) KMT2AMAPTSMN1; SMN2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010032261-A1 PROCESS FOR PREPARATION OF BOSENTAN CADILA HEALTHCARE LIMITED (IN) 2010-03-25 WO claimed
US-20140275535-A1 ACID ADDITION SALTS OF BOSENTAN BIOCON LIMITED (IN) 2014-09-18 US disclosed
EP-2768812-A1 ACID ADDITION SALTS OF BOSENTAN Biocon Limited (IN) 2014-08-27 EP disclosed
WO-2013057545-A1 ACID ADDITION SALTS OF BOSENTAN BIOCON LIMITED (IN) 2013-04-25 WO disclosed
EP-2132199-A1 SUBSTITUTED PYRIMIDINES Auspex Pharmaceuticals Inc. (US) 2009-12-16 EP disclosed
WO-2008122020-A1 SUBSTITUTED PYRIMIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-09 WO disclosed
US-20080242687-A1 SUBSTITUTED PYRIMIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-02 US disclosed
EP-0959072-B1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO (JP) 2002-09-25 EP disclosed
EP-0743307-B1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO (JP) 2001-09-12 EP disclosed
EP-0959073-A1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1999-11-24 EP disclosed
EP-0959072-A1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1999-11-24 EP disclosed
US-5739333-A 4-SULFONAMIDO-6-ARYLOXY OR -AMINOALKYLENEOXY,-AMINO, OR -THIOPYRIMIDINES; ENDOLTHELIN ANTAGONISTS; HYPOTENSIVE AND ULCER AGENTS; ASTHMA; RAYNAUD DISEASE; CARDIOVASCULAR DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 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
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 (3 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 3992/4885MAPT 4231/4885MTNR1A 2730/4885
US-20140275535-A1 ACID ADDITION SALTS OF BOSENTAN NCLN, EDNRB, EDNRA KMT2A 4488/4885MAPT 3518/4885MTNR1A 3402/4885
US-20080242687-A1 SUBSTITUTED PYRIMIDINES EDNRB, EDNRA, ECE1 KMT2A 4436/4885MAPT 3990/4885MTNR1A 878/4885

“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.