SCHEMBL6958014

SCHEMBL6958014

COc1cc(Cc2cc3ccccc3s2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.53
TUBB P07437 5/20 0.53
TUBA3C P0DPH7 5/20 0.53
TUBA1B P68363 5/20 0.53
TUBA4A P68366 5/20 0.53
TUBB4B P68371 5/20 0.53
TUBB3 Q13509 5/20 0.53
TUBB2A Q13885 5/20 0.53
TUBB8 Q3ZCM7 5/20 0.53
TUBA3E Q6PEY2 5/20 0.53
TUBA1A Q71U36 5/20 0.53
TUBA1C Q9BQE3 5/20 0.53
TUBB6 Q9BUF5 5/20 0.53
TUBB2B Q9BVA1 5/20 0.53
TUBB1 Q9H4B7 5/20 0.53
SLC5A2 P31639 3/20 0.53
CYP2A6 P11509 3/20 0.50
ADRB2 P07550 1/20 0.50
AGXT P21549 1/20 0.46
ASIC3 Q9UHC3 1/20 0.46

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
SCHEMBL7337103 0.85 SLC5A2 (0.61) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL6959919 0.85 SLC5A2 (0.61) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL13271732 0.82 SLC5A2 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1539306 0.79 SLC5A2 (0.55) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL7086153 0.79 CYP2A6 (0.53) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL7339450 0.79 SLC5A2 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6964522 0.79 SLC5A2 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7819877 0.77 CYP2A6 (0.50) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL28954990 0.76 CYP2A6 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12662840 0.76 SLC5A2 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 11 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
EP-0819125-B1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORP (US) 2003-06-18 EP 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-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-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
US-5594021-A VASOCONSTRICTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-14 US 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 (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-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN EDNRA, EDNRB, NPSR1 TUBB4A 4623/4885TUBB 4499/4885TUBA3C 4380/4885
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 TUBB4A 4796/4885TUBB 4717/4885TUBA3C 4800/4885

“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.