SCHEMBL5210212

SCHEMBL5210212

Cc1cc(C)c(N)c(-c2ncco2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
CFTR P13569 1/20 0.36
LCK P06239 1/20 0.35
KIT P10721 1/20 0.35
BRD4 O60885 1/20 0.35
NOS3 P29474 3/20 0.33
NOS2 P35228 3/20 0.33
NOS1 P29475 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CG P48736 1/20 0.33
EDNRA P25101 1/20 0.33
OPRK1 P41145 3/20 0.32
NUDT1 P36639 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL31546578 0.83 CFTR (0.35) CFTRBRD4NOS3NOS2PIK3CD
SCHEMBL5212812 0.77 TP53 (0.48) KDM4ECFTRLCKKITBRD4
SCHEMBL18471539 0.76 NOS3 (0.46) KDM4ECFTRBRD4NOS3NOS2
SCHEMBL31546532 0.76 NOS3 (0.41) CFTRBRD4NOS3NOS2NOS1
SCHEMBL11017014 0.75 NPC1 (0.46) KDM4EBRD4NOS3NOS2NOS1
SCHEMBL1289874 0.75 ALDH1A1 (0.42) KDM4ECFTRBRD4NOS3NOS2
SCHEMBL655701 0.73 BRD4 (0.36) CFTRBRD4NOS3NOS2PIK3CD
SCHEMBL4408061 0.72 KDM4E (0.43) KDM4ECFTRLCKBRD4NOS3
SCHEMBL996798 0.72 KDM4E (0.41) KDM4ECFTRBRD4NOS3NOS2
SCHEMBL23932622 0.72 KDM4E (0.48) KDM4ENOS3NOS2NOS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1533311-B1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC (US) 2007-04-25 EP disclosed
EP-1533311-B1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC (US) 2007-04-25 EP disclosed
EP-1533311-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. (US) 2005-05-25 EP disclosed
EP-1244657-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2004-12-29 EP disclosed
US-6686382-B2 N-(ISOXAZOLYL)THIENYLSULFONAMIDES, N-(ISOXAZOLYL)FURYLSULFONAMIDES, N-(ISOXAZOLYL)PYRROLYLSULFONAMIDES AND N-(ISOXAZOLYL)PHENYLSULFONAMIDES; INHIBIT ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC. 2004-02-03 US disclosed
US-20010056183-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION 2001-12-27 US disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 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 (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-20010056183-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 KDM4E 2262/4885CFTR 405/4885LCK 1825/4885

“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.