SCHEMBL4060879

SCHEMBL4060879

NS(=O)(=O)CCc1cccs1.[KH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA5A P35218 3/20 0.41
CA7 P43166 3/20 0.41
CA5B Q9Y2D0 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA13 Q8N1Q1 1/20 0.41
POLB P06746 3/20 0.41
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL4067422 0.98 TAAR1 (0.55) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL6323258 0.87 TAAR1 (0.57) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL17009339 0.85 TAAR1 (0.55) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL1417568 0.82 TAAR1 (0.54) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL4060908 0.78 TAAR1 (0.50) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL2880966 0.78 TAAR1 (0.50) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL6383725 0.78 TAAR1 (0.48) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL7697993 0.77 TAAR1 (0.48) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL7697997 0.77 TAAR1 (0.48) TAAR1ADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL3208037 0.74 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2004-05-27 US 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
WO-2002024665-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 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 (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.