SCHEMBL4059254

SCHEMBL4059254

c1ccc(CCc2ccsc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.58
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GPR52 Q9Y2T5 1/20 0.45
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
CYP2A6 P11509 2/20 0.44
CYP2E1 P05181 1/20 0.44
CYP2B6 P20813 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
HTR2A P28223 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL9732005 0.91 TAAR1 (0.54) TAAR1DRD2DRD3SLC6A2SLC6A3
SCHEMBL8671494 0.87 TAAR1 (0.71) TAAR1DRD2DRD3SLC6A2SLC6A3
SCHEMBL2089546 0.81 CALM1 (0.57) TAAR1DRD2DRD3SLC6A2SLC6A3
SCHEMBL12809383 0.78 TSHR (0.48) TAAR1DRD2DRD3SLC6A2SLC6A3
SCHEMBL1309778 0.78
Benzylamine SCHEMBL6665627 0.77 LOXL2 (0.61) TAAR1SLC6A2SLC6A3MAOBCYP2A6
Thiophene SCHEMBL10954809 0.77 ALDH1A1 (0.57) TAAR1MAOAMAOBCYP2A6ALDH1A1
SCHEMBL9855401 0.77 TAAR1 (0.65) TAAR1DRD2DRD3SLC6A2SLC6A3
SCHEMBL22476117 0.76 MAOB (0.44) TAAR1DRD2DRD3SLC6A2SLC6A3
SCHEMBL29021045 0.76 DRD2 (0.47) TAAR1DRD2DRD3SLC6A2SLC6A3

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 WO claimed
CN-117693545-A Organosilicon polymer compound and organosilicon polymer material 国立大学法人大阪大学 2024-03-12 CN disclosed
WO-2024028426-A1 COMPOSITION MERCK PATENT GMBH (DE) 2024-02-08 WO disclosed
CN-111801355-B Polymer material and method for producing same 国立大学法人大阪大学 2023-02-28 CN disclosed
WO-2021045203-A1 POLYMER MATERIAL AND PRODUCTION METHOD THEREFOR 国立大学法人大阪大学 2021-03-11 WO disclosed
WO-2020216813-A1 NANOPARTICLE MERCK PATENT GMBH (DE) 2020-10-29 WO disclosed
CN-111801355-A Polymer material and method for producing same 国立大学法人大阪大学 2020-10-20 CN disclosed
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
EP-0870764-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-10-14 EP 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
US-5571821-A CARDIOVASCULAR DISORDERS TO MODULATE ENDOTHELIN, HYPOTENSIVE AGENTS AND VASOCONSTRICTION TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-11-05 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
EP-0699191-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-03-06 EP disclosed
WO-1994027979-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN IMMUNOPHARMACEUTICS, INC. (US) 1994-12-08 WO disclosed
CN-1035291-A The preparation method of thiophenethers HOECHST AG (DE) 1989-09-06 CN disclosed
US-4711742-A Solution processible forms of neutral and electrically conductive poly(substituted heterocycles) ALLIED CORPORATION (US) 1987-12-08 US disclosed
EP-0203438-A1 Solution processible forms of neutral and electrically conductive poly(substituted heterocycles) ALLIED CORPORATION (US) 1986-12-03 EP 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 (1 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-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 TAAR1 1221/4885DRD2 2080/4885DRD3 3061/4885

“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.