SCHEMBL7211772

SCHEMBL7211772

Cc1cc(NS(=O)(=O)c2ccc(-c3ccc4c(c3)OCO4)cc2)on1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.60
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
KIF11 P52732 1/20 0.48
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 2/20 0.46
CDK2 P24941 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL7217887 0.82 EDNRA (0.72) EDNRAMAPTTP53CDK2TSHR
SCHEMBL7211689 0.79 EDNRA (0.64) EDNRAMAPTTP53CDK2TSHR
SCHEMBL7211435 0.78 EDNRB (0.67) EDNRA
SCHEMBL7217783 0.78 EDNRA (0.65) EDNRAMAPTALDH1A1TP53MEN1
SCHEMBL7212749 0.77 EDNRA (0.64) EDNRAMAPTTP53CDK2TSHR
SCHEMBL6151676 0.76 EDNRA (0.62) EDNRACA12CA2CA9SMN1; SMN2
SCHEMBL7211768 0.75 EDNRA (0.58) EDNRACA2CA9MAPTTP53
SCHEMBL29659727 0.75 EDNRA (1.00) EDNRASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL7211420 0.75 EDNRA (0.74) EDNRAMAPTALDH1A1TP53CDK2
SCHEMBL27508434 0.74 EDNRA (0.64) EDNRACA12CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6541498-B2 Antiinflammatory agents, antiasthmatics TEXAS BIOTECHNOLOGY 2003-04-01 US disclosed
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-18 US disclosed
US-6376523-B1 HYPOTENSIVE AGENTS; ANTIINFLAMMATORY AGENTS; ENDOGENOUS VASOCONSTRUCTION PEPTIDE TEXAS BIOTECHNOLOGY CORPORATION 2002-04-23 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-20010036958-A1 Benzenesulfonamides and the use thereof to modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS, INC. 2001-11-01 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
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-6030991-A ADJUSTING THE BINDING OF AN ENDOTHELIN PEPTIDE TO ENDOTHELIN A OR, PARTICULARLY, ENDOTHELIN B RECEPTORS, I.E. INHIBITING OR STIMULATING; ANTIINFLAMMATORY AGENT; ASTHMA; KIDNEYS; GASTROINTESTINAL, CARDIOASCULAR DISORDERS; HYPOTENSIVE AGENTS TEXAS BIOTECHNOLOGY CORP. (US) 2000-02-29 US 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 EDNRA 1/4885CA12 4709/4885CA2 4094/4885
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 EDNRA 2/4885CA12 2323/4885CA2 972/4885
US-20010036958-A1 Benzenesulfonamides and the use thereof to modulate the activity of endothelin EDNRB, EDNRA, ECE1 EDNRA 2/4885CA12 4200/4885CA2 1537/4885

“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.