SCHEMBL7211706

SCHEMBL7211706

CC(=O)Oc1ccccc1/C=C/c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
HCAR2 Q8TDS4 1/20 0.45
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL7365668 0.91 MEN1 (0.42) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL7791640 0.84 MEN1 (0.41) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL1603612 0.84 MEN1 (0.60) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL4982109 0.76 NFE2L2 (0.61) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL4982103 0.76 NFE2L2 (0.61) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL12379239 0.76 MEN1 (0.52) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL8291205 0.76 MEN1 (0.52) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL10366281 0.76 MAPT (0.41) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL17305571 0.75 KDM4E (0.54) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL1812624 0.75 KMT2A (0.55) MEN1KMT2ANPC1RAB9AHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO claimed
US-6613804-B2 Treatment of hypertension, cardiovascular disease, pulmonary hypertension, erythropoietin-mediated vasoconstriction, endotoxin shock, pulmonary hypertension, anaphylactic shock and hemorrhagic shock ENCYSIVE PHARMACEUTICALS, INC. 2003-09-02 US disclosed
US-6458805-B2 ANTAGONISTS; ESPECIALLY SODIUM SALTS TEXAS BIOTECHNOLOGY CORPORATION 2002-10-01 US disclosed
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-18 US disclosed
US-6342610-B2 COMPOUNDS SUCH AS N-(4-BROMO-3-METHYL-5-ISOXAZOLYL)-2-N-BENZYLBENZO(B)THIOPHENE-3-SUFONAMIDE ADMINISTERED AS ENDOTHELIN PEPTIDE RECEPTOR ANTAGONISTS TEXAS BIOTECHNOLOGY CORP. 2002-01-29 US disclosed
US-6331637-B1 N-Alkyl, N-Alkenyl, N-Alkynyl, N-Aryl and N-fused bicyclo or tricyclo thienyl-, furyl-,and Pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION 2001-12-18 US disclosed
US-20010039289-A1 Formulation of sulfonamides for treatment of endothelin-mediated disorders ENCYSIVE PHARMACEUTICALS INC. 2001-11-08 US disclosed
US-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC. 2001-09-13 US disclosed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed
US-6248767-B1 VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORP. 2001-06-19 US disclosed
EP-1048657-A1 Thienyl-, furyl-, pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-11-02 EP disclosed
US-5962490-A Thienyl-, furyl- and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-05 US disclosed
EP-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 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 (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-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN EDNRA, EDNRB, NPSR1 MEN1 2958/4885KMT2A 4584/4885NPC1 4274/4885
US-20010039289-A1 Formulation of sulfonamides for treatment of endothelin-mediated disorders EDNRA, EDNRB, ECE1 MEN1 1878/4885KMT2A 3128/4885NPC1 2720/4885
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 MEN1 2301/4885KMT2A 3019/4885NPC1 3938/4885

“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.