SCHEMBL6589801

SCHEMBL6589801

C=CCOC(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CRHR1 P34998 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
SNCA P37840 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
SCHEMBL7601281 0.84 NR1H2 (0.51) CYP3A4SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL10150591 0.83 SMN1; SMN2 (0.39) CYP3A4SMN1; SMN2HPGDALDH1A1TDP1
SCHEMBL429496 0.81 CYP3A4 (0.56) CYP3A4SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL15695711 0.80 CYP3A4 (0.50) CYP3A4SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL6587703 0.79 ALDH1A1 (0.44) CYP3A4SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL7601139 0.79 CYP3A4 (0.42) CYP3A4SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL571273 0.79 CYP3A4 (0.61) CYP3A4SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL11570737 0.78 SMN1; SMN2 (0.39) CYP3A4SMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL11570734 0.78 SMN1; SMN2 (0.39) CYP3A4SMN1; SMN2HPGDLMNAALDH1A1
SCHEMBL7631407 0.78 CYP3A4 (0.59) CYP3A4SMN1; SMN2KDM4EHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100558724-C Adjust active sulphonamide of endothelium peptide and derivative thereof ANSEHIV PHARMACEUTICAL CORP (US) 2009-11-11 CN disclosed
CN-1215069-C Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC (US) 2005-08-17 CN disclosed
CN-1530366-A Sulphonic acid amide for regulating bast peptide activity and derivative thereof ��ɪϣ����ҩ��˾ 2004-09-22 CN disclosed
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
CN-1231664-A Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORP (US) 1999-10-13 CN 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 CYP3A4 1652/4885SMN1; SMN2 2313/4885KDM4E 2082/4885
US-20020091272-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 CYP3A4 1652/4885SMN1; SMN2 2313/4885KDM4E 2082/4885

“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.