SCHEMBL4068945

SCHEMBL4068945

CCC(C)OC(=O)C(C(=O)O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MMP8 P22894 1/20 0.38
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
SRC P12931 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 2/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
STAT3 P40763 1/20 0.36

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
SCHEMBL11377804 0.88 MAPT (0.43) MAPTALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL538763 0.87 MAPT (0.52) MAPTPOLBALDH1A1LMNAMMP8
SCHEMBL5165789 0.86 MAPT (0.43) MAPTALDH1A1SMN1; SMN2MMP8KMT2A
SCHEMBL1155256 0.86 POLB (0.44) MAPTPOLBLMNAMEN1KMT2A
SCHEMBL4281827 0.86 MAPT (0.43) MAPTPOLBALDH1A1SMN1; SMN2LMNA
Methane SCHEMBL11382581 0.86 MAPT (0.51) MAPTPOLBALDH1A1LMNAMMP8
SCHEMBL11623149 0.84 MAPT (0.41) MAPTALDH1A1LMNANPC1AKR1C3
SCHEMBL4279302 0.81 MAPT (0.43) MAPTALDH1A1LMNANPC1MEN1
SCHEMBL11377194 0.80 ACHE (0.49) MAPTACHEALDH1A1LMNAKMT2A
SCHEMBL12985769 0.79 MAPT (0.39) MAPTPOLBALDH1A1KMT2ASRC

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 13 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
EP-1309564-B1 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-14 EP disclosed
US-6951856-B2 Arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2005-10-04 US disclosed
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2004-05-27 US disclosed
US-20030220359-A1 Novel arylethene-sulfonamides ACTELION PHARMACEUTICALS LTD. (CH) 2003-11-27 US disclosed
EP-1322624-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2003-07-02 EP disclosed
EP-1309564-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-05-14 EP disclosed
WO-2002024665-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 WO disclosed
WO-2002008200-A2 ARYLETHENE-SULFONAMIDES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2002-01-31 WO disclosed
EP-0743307-B1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO (JP) 2001-09-12 EP disclosed
US-5739333-A 4-SULFONAMIDO-6-ARYLOXY OR -AMINOALKYLENEOXY,-AMINO, OR -THIOPYRIMIDINES; ENDOLTHELIN ANTAGONISTS; HYPOTENSIVE AND ULCER AGENTS; ASTHMA; RAYNAUD DISEASE; CARDIOVASCULAR DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
EP-0743307-A1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1996-11-20 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 (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-20030220359-A1 Novel arylethene-sulfonamides EDNRA, ECE2, ECE1 MAPT 4258/4885POLB 4214/4885ACHE 2659/4885
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity EDNRA, EDNRB, ECE2 MAPT 4247/4885POLB 3689/4885ACHE 1402/4885

“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.