SCHEMBL4067422

SCHEMBL4067422

NS(=O)(=O)CCc1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
ADRA2A P08913 3/20 0.46
ADRA2B P18089 3/20 0.46
ADRA2C P18825 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA5A P35218 3/20 0.42
CA7 P43166 3/20 0.42
CA5B Q9Y2D0 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA13 Q8N1Q1 1/20 0.42
POLB P06746 3/20 0.42
RECQL P46063 1/20 0.41
TSHR P16473 2/20 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
SCHEMBL4060879 0.98 TAAR1 (0.53) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL6323258 0.89 TAAR1 (0.57) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL17009339 0.87 TAAR1 (0.55) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL1417568 0.83 TAAR1 (0.54) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL4060908 0.80 TAAR1 (0.50) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL2880966 0.80 TAAR1 (0.50) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL6383725 0.79 TAAR1 (0.48) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL7697997 0.78 TAAR1 (0.48) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL7697993 0.78 TAAR1 (0.48) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL3208037 0.76 TAAR1 (0.50) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107820429-B Novel compositions and methods for immunotherapy comprising small molecule integrin receptor-ligand agonist adjuvants 7山药物有限责任公司 2022-08-16 CN disclosed
EP-1322624-B1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2009-10-21 EP disclosed
US-7091201-B2 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-15 US disclosed
EP-0906108-B1 ENDOTHELIN ANTAGONISTS FOR TREATING HEART FAILURE BANYU PHARMA CO LTD (JP) 2005-06-15 EP disclosed
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2004-05-27 US disclosed
EP-1049691-B1 SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE BANYU PHARMA CO LTD (JP) 2004-02-18 EP disclosed
EP-1322624-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2003-07-02 EP disclosed
WO-2002083650-A1 NOVEL SULFONYLAMINO-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2002-10-24 WO disclosed
US-6413979-B1 ANTAGONISTS TO ENDOTHELINS; VASODILATORS AND BRONCHODILATORS; SYNTHESIS ROUTES; HYPERTENSION, ASTHMA, RAYNAUD'S DISEASE, RENAL AND HEART FAILURE, ANGINA, DIABETES, CEREBRAL INFARC-TION AND VASOSPASM, ARTERIOSCLEROSIS, RESTENOSIS, PROSTATISM BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-02 US disclosed
US-6380195-B1 INCLUDING (METHYLENEDIOXYPHENYL)CYCLOPENTENO(1,2-B)PYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-04-30 US disclosed
EP-0714897-B1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMA CO LTD (JP) 2001-02-14 EP disclosed
EP-0906108-A4 METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS BANYU PHARMA CO LTD (JP) 2000-12-06 EP disclosed
EP-1049691-A1 SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-11-08 EP disclosed
US-6087360-A TREATING PATIENTS WITH ENDOTHELIN RELATED DISORDERS BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-07-11 US disclosed
WO-1999037639-A1 SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-29 WO disclosed
EP-0906108-A1 METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-04-07 EP disclosed
US-5834483-A Method of treating heart failure with endothelin antagonists MERCK & CO., INC. (US) 1998-11-10 US disclosed
US-5714479-A TREATMENT OF HYPERTENSION, ACUTE RENAL FAILURE, ANGINA PECTORIS, ARTERIOSCLEROSIS, ASTHMA, GASTRIC ULCER AND SIMILAR AILMENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-03 US disclosed
WO-1997037665-A1 METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-10-16 WO disclosed
EP-0714897-A1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-06-05 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-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity EDNRA, EDNRB, ECE2 TAAR1 93/4885ADRA2A 39/4885ADRA2B 67/4885

“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.