SCHEMBL6964522

SCHEMBL6964522

COc1ccccc1Cc1cc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 4/20 0.55
CYP2A6 P11509 3/20 0.53
ADRB2 P07550 1/20 0.53
AGXT P21549 1/20 0.49
ASIC3 Q9UHC3 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
SLC5A1 P13866 2/20 0.47
IDH1 O75874 1/20 0.46
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
ADRA1D P25100 2/20 0.44
CNR2 P34972 2/20 0.44
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
TUBA1B P68363 3/20 0.43
TUBA4A P68366 3/20 0.43
TUBB4B P68371 3/20 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
SCHEMBL7339450 1.00 SLC5A2 (0.55) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL4825229 0.85 CSNK1D (0.46) SLC5A2CYP2A6ADORA2AADORA1CNR2
SCHEMBL155731 0.84 SLC5A2 (0.55) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL12662840 0.81 SLC5A2 (0.50) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL12425721 0.81 SLC5A2 (0.50) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL16018600 0.79 SLC5A2 (0.48) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL6959919 0.79 SLC5A2 (0.61) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL7337103 0.79 SLC5A2 (0.61) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL6958014 0.79 TUBB4A (0.53) SLC5A2CYP2A6ADRB2AGXTASIC3
SCHEMBL28954990 0.79 CYP2A6 (0.47) SLC5A2CYP2A6ADRB2AGXTASIC3

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
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
US-5594021-A VASOCONSTRICTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-14 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 (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 SLC5A2 3472/4885CYP2A6 3363/4885ADRB2 639/4885
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 SLC5A2 1605/4885CYP2A6 753/4885ADRB2 925/4885

“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.