SCHEMBL4060908

SCHEMBL4060908

O=S(=O)(Cl)CCc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C19 P33261 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL17850536 0.89 TAAR1 (0.52) TAAR1ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL1417568 0.83 TAAR1 (0.54) TAAR1ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL2880966 0.80 TAAR1 (0.50) TAAR1ALDH1A1SMN1; SMN2HPGDADRA2A
SCHEMBL4067422 0.80 TAAR1 (0.55) TAAR1ALDH1A1SMN1; SMN2HPGDADRA2A
SCHEMBL8369227 0.79 ALDH1A1 (0.47) TAAR1ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL4060879 0.78 TAAR1 (0.53) TAAR1ALDH1A1SMN1; SMN2HPGDADRA2A
SCHEMBL7697993 0.78 TAAR1 (0.48) TAAR1ALDH1A1SMN1; SMN2HPGDADRA2A
SCHEMBL7697997 0.78 TAAR1 (0.48) TAAR1ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL14861266 0.78 ALDH1A1 (0.46) TAAR1ALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL2030841 0.75 TAAR1 (0.71) TAAR1ALDH1A1SMN1; SMN2HPGDADRA2A

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 5 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-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 93/4885ALDH1A1 2214/4885SMN1; SMN2 3776/4885

“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.