SCHEMBL4060140

SCHEMBL4060140

Cc1ccc(-c2c(OCCO)nc(-c3ncccn3)nc2C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 8/20 0.46
EDNRA P25101 5/20 0.41
EDNRB P24530 4/20 0.41
MKNK2 Q9HBH9 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
IKBKB O14920 1/20 0.38
PARP1 P09874 1/20 0.37
ABCC3 O15438 1/20 0.36
ABCC4 O15439 1/20 0.36
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
NR1H3 Q13133 1/20 0.36
NR1I3 Q14994 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
AHR P35869 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4064360 0.87 DHPS (0.47) DHPSEDNRAEDNRBIKBKBNPC1
SCHEMBL4061152 0.86 EDNRB (0.45) EDNRAEDNRB
SCHEMBL4060142 0.84 DHPS (0.54) DHPSEDNRAEDNRBMEN1ALDH1A1
SCHEMBL5765220 0.83 DHPS (0.40) DHPSEDNRAIKBKBPARP1RAB9A
SCHEMBL5761894 0.80 IKBKB (0.41) DHPSMKNK2MKNK1IKBKBPARP1
SCHEMBL7700001 0.80 MYC (0.48) DHPSPARP1MEN1ALDH1A1POLB
SCHEMBL7700540 0.76 EDNRB (0.38) DHPSEDNRAEDNRB
SCHEMBL5632892 0.75 EDNRB (0.42) EDNRAEDNRB
SCHEMBL4061140 0.74 EDNRA (0.67) DHPSEDNRAEDNRBABCC3ABCC4
SCHEMBL5764477 0.73 PIK3CA (0.46) MAPTSMN1; SMN2MEN1ALDH1A1POLB

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
EP-1322624-B1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2009-10-21 EP disclosed
US-7091201-B2 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-15 US disclosed
EP-1309564-B1 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-14 EP disclosed
US-6951856-B2 Arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2005-10-04 US disclosed
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2004-05-27 US disclosed
US-20030220359-A1 Novel arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2003-11-27 US disclosed
EP-1322624-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2003-07-02 EP disclosed
EP-1309564-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-05-14 EP disclosed
WO-2002024665-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 WO disclosed
WO-2002008200-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-01-31 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 (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-20030220359-A1 Novel arylethene-sulfonamides EDNRA, ECE2, ECE1 DHPS 424/4885EDNRA 1/4885EDNRB 4/4885
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity EDNRA, EDNRB, ECE2 DHPS 1235/4885EDNRA 1/4885EDNRB 2/4885

“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.