SCHEMBL6589797

SCHEMBL6589797

CC(=O)OCc1c(C)cc(C)c(N)c1C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CA2 P00918 2/20 0.40
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.34
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.34
SLC11A2 P49281 1/20 0.32
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12512333 0.87 KDM4E (0.42) MEN1KMT2AHSD17B10KDM4ECA2
SCHEMBL13034154 0.80 MEN1 (0.48) MEN1KMT2AHSD17B10KDM4ECA2
SCHEMBL10977384 0.77 KMT2A (0.44) MEN1KMT2AHSD17B10KDM4ECA2
SCHEMBL14384136 0.77 ALDH1A1 (0.50) MEN1KMT2AHSD17B10KDM4ECA2
SCHEMBL6669414 0.76 MEN1 (0.44) MEN1KMT2AHSD17B10KDM4ECA2
SCHEMBL14386601 0.76 KMT2A (0.49) MEN1KMT2AHSD17B10KDM4ECA2
SCHEMBL27773020 0.75 KDM4E (0.34) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL6591751 0.74 KMT2A (0.45) MEN1KMT2AHSD17B10KDM4ECA2
SCHEMBL27696637 0.73 MEN1 (0.36) MEN1KMT2AHSD17B10KDM4ECA2
SCHEMBL9685052 0.72 ALDH1A1 (0.50) MEN1KMT2AHSD17B10KDM4ECA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946552-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2004-07-07 EP disclosed
US-20030208084-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2003-11-06 US disclosed
US-6632829-B2 Thienyl, furyl and pyrrolyl-sulfonamides, useful for treating hypertension, cardiovascular disease, asthma, pulmonary hypertension, inflammatory diseases, vision defects, menstrual disorders, renal failure and other diseases TEXAS BIOTECHNOLOGY CORP. 2003-10-14 US disclosed
EP-1342721-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. (US) 2003-09-10 EP disclosed
US-6420567-B1 PRODRUGS TEXAS BIOTECHNOLOGY CORPORATION 2002-07-16 US disclosed
US-20020091272-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-11 US disclosed
EP-0946552-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-06 EP disclosed
WO-1998013366-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-04-02 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-20030208084-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 MEN1 2163/4885KMT2A 3411/4885HSD17B10 4379/4885
US-20020091272-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 MEN1 2163/4885KMT2A 3411/4885HSD17B10 4379/4885

“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.